data_2rp5_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 2rp5 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' B' ' 538' ' ' SER . 19.7 t80 . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 146.62 30.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -110.05 142.62 41.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.021 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -126.16 126.27 43.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.022 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' THR . . . . . 0.547 HG21 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -80.69 111.76 17.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -96.95 150.78 20.37 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.782 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.64 119.18 30.67 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.527 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 2.0 mm? -118.3 113.27 21.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.46 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' B' ' 532' ' ' PHE . 0.0 OUTLIER -71.55 157.4 38.07 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.14 -47.41 17.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . 0.445 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . . . -69.87 -44.59 69.51 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.97 -31.75 64.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.378 0.609 . . . . 0.0 110.206 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.527 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 65.3 t80 -58.16 -50.9 71.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.536 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.575 HG22 ' HG ' ' A' ' 642' ' ' LEU . 4.5 p -66.9 -33.34 75.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -61.95 -46.2 90.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.419 HG22 HD12 ' A' ' 537' ' ' LEU . 75.2 t -72.81 -43.87 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.408 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.53 ' HB ' HD23 ' A' ' 642' ' ' LEU . 47.6 t -59.51 -47.72 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.91 -36.37 77.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.251 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.6 t80 -58.98 -50.89 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.058 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.6 mt -71.71 -28.8 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.202 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.31 86.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 10.9 mmt85 -67.72 -37.31 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.703 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.401 ' HB3' ' HE1' ' A' ' 558' ' ' TYR . 3.2 mm-40 -66.25 -39.66 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.459 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.52 49.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.872 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.22 -54.7 21.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.5 122.32 59.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.539 ' HB3' ' HB3' ' A' ' 564' ' ' GLN . 9.7 Cg_endo -52.76 126.01 19.83 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.36 2.04 . . . . 0.0 112.811 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -152.13 14.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.598 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' A' ' 552' ' ' GLU . 50.3 m-85 -130.54 123.44 29.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.642 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -20.67 16.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.297 0.57 . . . . 0.0 109.783 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.418 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 6.5 t90 -69.08 -39.49 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.067 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.22 122.14 14.8 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.915 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.73 87.27 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.783 2.322 . . . . 0.0 112.165 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -24.49 35.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.322 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 556' ' ' PRO . 5.9 pm0 -57.4 -40.59 78.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 569' ' ' ILE . 13.2 p -77.69 -30.26 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.538 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.04 -42.3 91.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -14.7 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -20.35 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.69 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 9.6 mt -77.02 134.44 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.285 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -88.81 119.19 69.9 Favored Pre-proline 0 N--CA 1.434 -1.237 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 176.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.543 ' HD2' HD11 ' A' ' 570' ' ' LEU . 17.9 Cg_endo -60.08 -3.02 2.0 Allowed 'Trans proline' 0 CA--C 1.521 -0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.31 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 570' ' ' LEU . 71.2 p -81.12 -17.3 50.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.336 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -27.01 25.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.616 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.91 -134.26 7.94 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.95 0.77 4.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.605 0.241 . . . . 0.0 110.572 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -46.35 75.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.23 -36.75 77.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.689 0.28 . . . . 0.0 110.47 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.87 -43.71 94.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.435 HD12 ' HB1' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -67.49 -40.57 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 32.8 m -60.86 -37.87 83.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.444 ' HB1' ' CG1' ' A' ' 565' ' ' VAL . . . -56.52 -36.07 68.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.77 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.562 HG13 ' HB3' ' A' ' 584' ' ' ALA . 30.1 pt -103.27 5.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.503 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.58 43.36 3.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.302 0.572 . . . . 0.0 111.172 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.562 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -100.25 51.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -65.38 -18.66 65.66 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -31.93 9.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.45 0.625 . . . . 0.0 111.169 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.72 -24.41 62.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.398 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.509 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.39 -25.85 64.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.972 0.415 . . . . 0.0 111.007 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 590' ' ' LEU . 0.5 OUTLIER -61.84 -33.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.204 -179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.577 ' N ' HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -63.4 -37.14 86.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.051 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 57.1 m-85 -68.14 -44.75 75.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -38.76 81.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.222 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.95 92.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.31 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.479 ' HB3' HD11 ' A' ' 596' ' ' ILE . 11.9 t30 -84.59 -6.58 59.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.771 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.27 21.41 41.58 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.52 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 594' ' ' ASN . 6.1 mt -99.71 98.55 7.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.892 0.377 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.59 19.87 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.13 11.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.278 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 11.1 ttt -80.22 137.73 36.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.322 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.75 -36.28 3.7 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.248 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -45.12 95.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -42.89 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.0 OUTLIER -68.85 -41.65 82.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.065 0.46 . . . . 0.0 109.994 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 -61.85 -45.26 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.776 ' HB3' HG12 ' A' ' 612' ' ' ILE . 3.8 mm-40 -62.18 -34.09 75.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.281 0.562 . . . . 0.0 110.173 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.28 -38.48 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.576 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 24.5 mt-10 -74.17 -36.44 64.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.259 0.552 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.67 -40.59 48.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.944 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -124.04 -54.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 85.27 -30.74 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.092 0.87 . . . . 0.0 110.15 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -94.0 28.19 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.776 HG12 ' HB3' ' A' ' 605' ' ' GLU . 0.7 OUTLIER -51.24 -52.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.899 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 591' ' ' PHE . 2.5 m-85 -57.83 -43.88 86.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.949 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -35.8 80.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.294 0.569 . . . . 0.0 110.312 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -43.47 70.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.712 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.6 pt -72.36 -22.84 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.07 30.9 3.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.881 -1.152 . . . . 0.0 113.716 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 619' ' ' ASP . 21.0 mm -67.74 146.14 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 618' ' ' ILE . 3.3 t70 -65.28 123.63 20.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.146 0.498 . . . . 0.0 110.98 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.09 -24.13 66.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.261 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.331 . . . . 0.0 111.428 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' A' ' 622' ' ' LYS . 20.8 mtmm -129.47 11.52 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.231 0.539 . . . . 0.0 109.86 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.665 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.2 tp -54.67 -42.79 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -48.53 81.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.903 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.418 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 1.0 OUTLIER -63.14 -38.64 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.365 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.525 ' OH ' ' HB2' ' A' ' 584' ' ' ALA . 3.4 m-85 -65.15 -48.98 71.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.3 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.779 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.6 -50.23 70.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.03 80.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.472 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.408 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.6 OUTLIER -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.238 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.608 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 1.4 mm? -64.85 -44.07 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.025 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -38.69 92.19 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.87 -45.86 91.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.94 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -61.41 -41.69 97.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.777 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 4.2 mmt85 -62.5 -45.37 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.37 -46.56 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.093 0.473 . . . . 0.0 110.356 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.493 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -57.54 -46.46 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.939 -179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.6 -35.88 75.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.15 -28.6 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.687 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -29.47 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 109.924 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -6.6 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.72 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.575 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -66.0 121.64 77.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.993 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.8 Cg_exo . . . . . 0 N--CA 1.462 -0.337 0 C-N-CA 122.862 2.374 . . . . 0.0 111.506 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' B' ' 627' ' ' TYR . 1.5 t80 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 120.934 0.397 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 155.9 32.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . 0.668 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 37.7 m-85 -100.47 139.73 35.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.541 0.686 . . . . 0.0 112.249 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.98 128.31 48.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.572 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 121.77 19.85 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.094 0.473 . . . . 0.0 111.453 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 14.7 tp -115.84 136.9 52.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.547 HG23 HG21 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.59 122.68 34.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.321 0.581 . . . . 0.0 110.108 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.11 127.64 56.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.448 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.608 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -74.58 158.87 32.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.384 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -47.56 67.78 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.83 67.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 111.807 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' B' ' 544' ' ' LYS . 1.2 mm-40 -66.96 -33.55 75.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.181 0.515 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -57.22 -52.34 65.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.984 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.422 ' HA ' HD22 ' B' ' 642' ' ' LEU . 1.4 p -66.37 -34.78 78.73 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' B' ' 541' ' ' GLU . 7.5 ttpt -65.16 -44.6 88.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.268 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.15 -44.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.509 ' HB ' HD22 ' B' ' 642' ' ' LEU . 43.0 t -59.44 -47.42 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.205 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.683 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -68.63 -35.81 77.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.207 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.513 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.91 -51.03 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.111 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.1 mt -67.36 -30.23 69.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 0.0 110.598 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.44 77.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.033 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.683 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 17.0 mmt85 -68.83 -44.35 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.233 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.84 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' B' ' 632' ' ' SER . . . -77.36 -18.81 57.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.994 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.12 -71.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.475 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.4 t -76.16 125.9 87.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.76 124.66 14.02 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.327 2.018 . . . . 0.0 112.595 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . 0.619 ' HG3' ' HD1' ' B' ' 558' ' ' TYR . 0.0 OUTLIER -147.59 -3.2 0.55 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.588 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . 0.619 ' HD1' ' HG3' ' B' ' 557' ' ' ARG . 1.7 m-85 -122.23 146.47 47.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -18.06 11.79 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.621 ' CZ3' ' HA ' ' B' ' 625' ' ' LYS . 9.8 t90 -70.59 -46.25 63.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.847 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.484 HG12 ' CE3' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -124.39 134.81 25.82 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.975 178.59 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.67 60.74 7.94 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.816 2.344 . . . . 0.0 111.427 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 563' ' ' THR . . . . . 0.513 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -70.83 -23.17 62.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' B' ' 565' ' ' VAL . 18.7 pm0 -59.16 -35.66 73.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.553 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.3 p -87.01 -25.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.537 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.3 t -64.96 -38.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.441 ' HB3' HD11 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.64 -14.9 62.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.38 0.61 . . . . 0.0 110.141 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . 0.441 ' HD2' HG22 ' B' ' 565' ' ' VAL . 1.4 t60 -91.56 -17.09 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.498 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.887 HG21 ' HB3' ' B' ' 577' ' ' ARG . 82.8 mt -74.35 136.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.883 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -89.97 114.07 59.46 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -63.03 3.76 0.5 Allowed 'Trans proline' 0 C--O 1.226 -0.112 0 C-N-CA 122.589 2.193 . . . . 0.0 112.011 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.535 ' H ' ' C ' ' B' ' 570' ' ' LEU . 82.4 p -89.99 -17.5 27.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.306 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.71 -17.7 52.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.495 0.664 . . . . 0.0 109.928 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.18 -136.0 10.62 Favored Glycine 0 N--CA 1.437 -1.296 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' B' ' 602' ' ' MET . 0.1 OUTLIER -124.26 -5.28 7.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.93 0.365 . . . . 0.0 110.592 179.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -58.95 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.575 -178.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.887 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -61.87 -37.61 85.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.334 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.675 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 28.0 t80 -65.08 -43.13 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.713 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -65.44 -41.64 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 22.8 m -59.99 -38.56 82.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.425 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -55.88 -42.98 76.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.82 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.589 HG13 ' HB2' ' B' ' 584' ' ' ALA . 20.3 pt -96.91 6.21 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.631 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.83 41.51 4.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.855 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.589 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -94.8 49.75 1.26 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.72 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.6 -11.09 64.86 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.412 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.64 -32.02 8.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.212 0.53 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.18 -23.18 59.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.519 ' HB3' HD21 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -58.53 -26.06 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.701 179.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.495 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.91 -34.11 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.411 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.495 ' N ' HG12 ' B' ' 589' ' ' VAL . 1.4 mm? -64.66 -36.53 84.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.975 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 62.6 m-85 -68.24 -45.26 73.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.629 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.07 -39.6 86.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.005 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.92 87.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.118 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.4 ' HB3' HD12 ' B' ' 596' ' ' ILE . 6.7 t-20 -81.78 -12.2 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.295 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.04 18.5 36.79 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.418 HG21 HD22 ' B' ' 575' ' ' LEU . 5.2 mt -98.91 100.61 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.687 0.28 . . . . 0.0 110.869 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.16 16.5 0.64 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.053 0.454 . . . . 0.0 110.773 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.49 172.45 7.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.293 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -80.96 141.45 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.095 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.55 -30.44 2.23 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.42 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 605' ' ' GLU . 4.5 t70 -58.72 -44.93 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.605 ' HB3' HD23 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.27 -45.18 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.588 0.232 . . . . 0.0 110.91 -179.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.85 -40.6 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.527 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -65.8 -40.44 91.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -65.08 -33.97 77.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.698 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.446 ' HB2' HD12 ' B' ' 612' ' ' ILE . 19.3 t80 -66.36 -38.36 87.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.415 0.626 . . . . 0.0 109.832 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.7 -42.65 73.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -76.51 -38.47 55.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.617 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -110.78 -57.14 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 84.71 -28.06 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 124.092 0.87 . . . . 0.0 110.833 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -105.58 32.37 4.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.609 0.718 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.446 HD12 ' HB2' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -55.09 -59.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.124 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.4 m-85 -57.8 -39.12 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.146 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.55 -41.68 92.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.211 0.529 . . . . 0.0 110.374 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -70.55 -43.34 69.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.476 HD13 HD13 ' B' ' 618' ' ' ILE . 42.6 pt -67.99 -26.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.745 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.62 31.98 2.62 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.002 -1.094 . . . . 0.0 114.06 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.575 HG21 ' N ' ' B' ' 619' ' ' ASP . 21.6 mm -66.81 145.5 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.575 ' N ' HG21 ' B' ' 618' ' ' ILE . 1.2 t70 -64.82 121.3 14.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.089 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -63.6 -22.47 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.3 m -71.63 -18.91 62.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.102 0.477 . . . . 0.0 110.716 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.557 ' HG3' ' OD2' ' B' ' 619' ' ' ASP . 28.7 mtmm -124.0 0.97 8.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.614 HD13 ' HE2' ' B' ' 627' ' ' TYR . 1.8 tp -53.83 -44.12 70.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.613 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.564 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -60.67 -47.16 87.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.643 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.621 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.819 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.95 -51.0 71.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.629 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 5.9 m-85 -65.46 -34.29 77.93 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.851 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . 0.572 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 29.4 tp10 -61.31 -50.9 71.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.177 0.513 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.675 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -65.57 -37.92 88.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.698 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -49.05 79.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.437 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.668 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 2.8 mm? -66.02 -46.59 77.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' HB1' ' B' ' 553' ' ' ALA . 68.8 m -61.61 -36.85 81.89 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.335 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 -46.38 88.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.92 -39.42 89.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.488 ' HD2' ' CD1' ' B' ' 549' ' ' LEU . 3.5 mmt85 -61.03 -44.4 97.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.059 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.441 HD11 ' HB3' ' B' ' 567' ' ' SER . 52.0 mt -62.78 -46.6 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.923 0.392 . . . . 0.0 110.506 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.79 -46.83 84.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.315 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -38.38 82.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.47 -24.03 64.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.192 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 22.6 mtt -63.44 -36.58 84.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.267 0.556 . . . . 0.0 109.627 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -95.71 -11.17 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 2.4 tp -73.2 122.18 87.0 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.637 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.1 -83.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.023 2.482 . . . . 0.0 110.881 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.567 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.501 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 120.903 0.382 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.99 152.37 31.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.425 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -114.38 137.12 52.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 131.9 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.132 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 116.24 20.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.6 tp -102.02 142.19 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.856 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' THR . . . . . 0.618 HG21 HG21 ' B' ' 534' ' ' THR . 0.1 OUTLIER -91.76 122.16 34.06 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.062 0.458 . . . . 0.0 110.176 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.528 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -115.7 132.56 56.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -178.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 96.5 p -81.17 155.96 25.93 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.636 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -57.9 -28.04 63.87 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.026 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.23 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -82.67 -28.31 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.346 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.528 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 52.6 t80 -52.96 -50.81 63.32 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.771 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.433 ' HA ' HD21 ' A' ' 642' ' ' LEU . 2.3 p -67.73 -34.78 77.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.282 0.563 . . . . 0.0 110.959 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . 0.637 ' HD2' ' HZ ' ' B' ' 548' ' ' PHE . 0.1 OUTLIER -64.62 -44.73 89.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.4 -42.07 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.827 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.526 ' HB ' HD21 ' A' ' 642' ' ' LEU . 45.6 t -60.69 -49.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -68.59 -32.06 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.76 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.6 t80 -63.44 -49.58 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.217 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -71.38 -27.17 63.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.89 74.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.4 mmt-85 -65.4 -43.65 89.96 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 109.346 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.86 -37.21 81.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.262 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' A' ' 636' ' ' ILE . . . -76.73 -23.85 53.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -73.45 -28.39 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 110.478 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.51 HG13 ' HD2' ' A' ' 556' ' ' PRO . 70.7 t -105.7 144.53 29.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.481 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 6.9 Cg_endo -53.67 125.99 20.4 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.361 1.374 . . . . 0.0 109.921 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 557' ' ' ARG . 2.2 ttt-85 -117.97 -6.58 10.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . 0.744 ' HB2' HG12 ' A' ' 561' ' ' VAL . 88.7 m-85 -139.47 160.68 39.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.53 17.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.797 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -87.39 -24.6 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.744 HG12 ' HB2' ' A' ' 558' ' ' TYR . 7.1 p -121.93 122.5 27.69 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.45 0.643 . . . . 0.0 111.281 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.35 91.95 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.871 2.381 . . . . 0.0 112.082 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -22.26 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.251 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.645 ' HB3' ' HD3' ' A' ' 556' ' ' PRO . 16.3 pm0 -59.22 -43.05 92.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.313 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.5 p -75.38 -29.6 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.102 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.59 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -65.95 -40.77 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.148 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -13.78 61.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.404 0.621 . . . . 0.0 110.347 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.1 -13.76 37.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.77 HG23 ' HB3' ' A' ' 577' ' ' ARG . 22.0 mt -80.46 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.496 0.665 . . . . 0.0 111.425 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.6 OUTLIER -103.87 120.17 52.16 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 570' ' ' LEU . 19.4 Cg_endo -60.58 -4.1 3.13 Favored 'Trans proline' 0 N--CA 1.47 0.145 0 C-N-CA 122.779 2.319 . . . . 0.0 111.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 570' ' ' LEU . 51.1 p -80.88 -14.77 57.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.881 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.7 OUTLIER -94.67 3.1 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.817 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 102.06 -144.43 16.29 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.412 HD21 HG21 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -125.41 -7.45 6.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.742 0.305 . . . . 0.0 110.388 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -35.5 65.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.269 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.77 ' HB3' HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.34 -39.69 81.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.472 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.54 -41.69 98.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.969 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.5 m -61.07 -41.18 96.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.567 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' A' ' 565' ' ' VAL . . . -56.43 -40.01 74.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.934 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 8.3 pt -94.96 5.29 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.916 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.79 41.37 6.94 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.632 0.729 . . . . 0.0 110.396 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 579' ' ' LEU . . . -90.5 45.43 1.26 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.8 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 586' ' ' HIS . . . -60.93 127.76 43.6 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.24 -0.981 . . . . 0.0 111.338 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 585' ' ' GLY . 55.7 t-80 86.96 -23.73 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.066 0.947 . . . . 0.0 112.032 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.462 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 0.9 OUTLIER -66.39 -24.35 66.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.458 0.647 . . . . 0.0 109.533 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.496 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -59.27 -25.01 63.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.211 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.23 -33.84 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.414 ' N ' HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.81 -38.81 92.5 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 74.2 m-85 -68.33 -43.39 77.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.314 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.66 -37.78 73.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.368 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.63 91.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.332 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -83.59 -11.23 57.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.42 16.82 48.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.143 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 6.5 mt -96.95 92.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.776 0.322 . . . . 0.0 111.021 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.1 25.89 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.174 0.511 . . . . 0.0 110.151 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.15 172.49 12.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.092 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.45 ' HB3' ' HA ' ' A' ' 572' ' ' THR . 7.0 ptp -79.86 147.29 31.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.241 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.46 -44.69 3.24 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.39 -48.53 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.155 0.582 . . . . 0.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.406 ' HE2' ' HB3' ' A' ' 575' ' ' LEU . 2.4 ttt -58.39 -47.36 84.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.673 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.3 mp -68.42 -40.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -44.76 95.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.432 ' HB3' HG23 ' A' ' 612' ' ' ILE . 3.1 mm-40 -66.39 -34.11 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.111 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -66.67 -37.24 84.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 0.0 110.404 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 51.0 mt-10 -62.7 -43.44 98.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.665 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -78.17 -41.17 35.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.867 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -126.78 131.58 51.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.621 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.03 -1.75 57.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.041 0.448 . . . . 0.0 110.104 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 614' ' ' GLU . 17.6 p-10 -122.11 38.7 4.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.383 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 605' ' ' GLU . 0.8 OUTLIER -55.91 -51.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.145 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.56 -38.25 83.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.693 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . 0.483 ' HG3' ' HH ' ' A' ' 627' ' ' TYR . 5.4 mt-10 -67.8 -37.25 81.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.752 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -42.88 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.559 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.5 pt -72.42 -26.18 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.16 33.33 2.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.172 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.5 HG21 ' N ' ' A' ' 619' ' ' ASP . 18.7 mm -66.91 145.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.5 ' N ' HG21 ' A' ' 618' ' ' ILE . 11.0 t70 -65.45 129.34 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.535 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -59.48 -37.85 79.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' SER . . . . . 0.428 ' HG ' ' CG ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.14 -14.95 28.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 112.108 -179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.604 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 7.7 mtpt -125.68 -5.7 6.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.535 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 14.4 tp -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.729 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.23 95.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.14 -35.13 79.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -65.28 -44.7 87.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.717 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.483 ' HH ' ' HG3' ' A' ' 614' ' ' GLU . 12.9 m-85 -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.115 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.01 -49.88 68.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.254 0.549 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.053 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.412 ' HE2' ' CD1' ' A' ' 612' ' ' ILE . 0.9 OUTLIER -63.62 -48.89 75.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.727 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 635' ' ' ARG . 3.5 mm? -59.95 -44.35 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.7 m -60.53 -39.44 87.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.809 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.42 -43.99 97.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.623 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.85 -38.25 87.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 17.8 mmt180 -61.14 -45.62 93.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.149 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 553' ' ' ALA . 13.9 mt -68.83 -45.55 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.706 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.66 82.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.111 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.99 -35.46 78.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.327 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.082 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.1 mtm -66.06 -34.98 79.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.44 0.638 . . . . 0.0 109.597 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -6.08 41.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.157 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 2.3 tp -78.76 123.45 85.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.677 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.46 -0.476 0 C-N-CA 122.95 2.433 . . . . 0.0 111.764 179.015 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.636 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.4 p90 . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 1.3 m -74.02 129.32 37.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -88.3 149.27 23.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.332 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -136.97 143.4 42.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.966 0.413 . . . . 0.0 110.96 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 534' ' ' THR . . . . . 0.618 HG21 HG21 ' A' ' 536' ' ' THR . 0.0 OUTLIER -91.59 126.94 36.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 178.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.25 148.28 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 119.79 31.1 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' B' ' 542' ' ' TYR . 2.2 mm? -121.63 120.81 35.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.209 -178.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.55 157.57 26.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -53.1 -40.88 64.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 118.992 0.814 . . . . 0.0 112.444 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.83 90.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.822 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.54 -31.75 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 0.0 110.939 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.484 ' HA ' HD13 ' B' ' 537' ' ' LEU . 78.4 t80 -56.98 -51.67 68.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.735 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.534 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 4.5 p -63.84 -35.53 80.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -65.46 -44.72 86.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.34 -46.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.507 ' HB ' HD22 ' B' ' 642' ' ' LEU . 78.7 t -59.82 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.0 -37.08 85.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.637 ' HZ ' ' HD2' ' A' ' 544' ' ' LYS . 1.0 OUTLIER -58.63 -48.79 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.5 mt -71.52 -32.58 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.78 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 1.7 mmm-85 -63.99 -43.96 94.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -34.79 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.844 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.56 ' HA ' HG23 ' B' ' 563' ' ' THR . . . -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.651 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -72.96 -55.26 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.062 0.458 . . . . 0.0 109.825 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . 0.462 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 2.5 t -100.31 110.12 58.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 555' ' ' VAL . 2.9 Cg_endo -46.88 127.16 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.077 2.518 . . . . 0.0 113.355 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 25.29 0.51 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.37 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -108.95 162.06 14.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.415 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' THR . . . . . 0.509 ' HB ' ' CD1' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -64.85 -33.19 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.509 ' CD1' ' HB ' ' B' ' 559' ' ' THR . 1.5 p-90 -155.72 -167.77 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.199 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.492 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.9 OUTLIER 76.62 130.35 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.944 0.778 . . . . 0.0 110.874 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 4.3 Cg_exo -77.05 68.93 7.23 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.156 2.571 . . . . 0.0 111.541 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 563' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -64.97 -35.08 80.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.657 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.515 ' HG2' ' H ' ' B' ' 565' ' ' VAL . 1.6 pm0 -58.51 -50.11 74.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.515 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 8.3 p -73.14 -29.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.544 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.0 OUTLIER -67.39 -40.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.438 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.576 . . . . 0.0 110.218 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -83.15 -15.29 51.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.96 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' B' ' 577' ' ' ARG . 56.1 mt -74.47 133.25 31.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.316 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.5 OUTLIER -88.71 117.84 68.73 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.0 7.36 0.13 Allowed 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 123.012 2.475 . . . . 0.0 113.144 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.9 p -89.15 -17.28 29.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.27 -25.01 39.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.432 0.634 . . . . 0.0 110.496 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 123.69 -125.05 5.75 Favored Glycine 0 N--CA 1.437 -1.297 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' B' ' 602' ' ' MET . 0.1 OUTLIER -131.69 -10.65 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.995 0.397 . . . . 0.0 111.495 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 0.2 OUTLIER -55.53 -39.48 70.58 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.764 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -63.46 -37.67 88.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.553 179.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.835 ' HE1' ' HB1' ' B' ' 629' ' ' ALA . 26.0 t80 -65.05 -41.81 94.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.31 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -42.29 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.49 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -60.96 -40.16 92.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.442 ' HB3' ' CG1' ' B' ' 565' ' ' VAL . . . -57.98 -47.12 83.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.148 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.528 HG13 ' HB1' ' B' ' 584' ' ' ALA . 16.1 pt -86.23 8.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.05 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.24 34.27 10.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.451 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.528 ' HB1' HG13 ' B' ' 582' ' ' ILE . . . -78.63 -68.26 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.193 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.2 -62.41 2.59 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -89.47 -16.58 30.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.571 ' CG ' ' HH ' ' B' ' 626' ' ' TYR . 0.9 OUTLIER -62.12 -24.86 67.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.555 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -58.23 -25.37 61.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.123 0.487 . . . . 0.0 110.375 179.178 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -33.97 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.295 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' B' ' 616' ' ' ILE . 0.7 OUTLIER -67.92 -37.99 82.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.622 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 80.1 m-85 -66.71 -39.12 87.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.597 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.625 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.64 97.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.372 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.528 ' HB3' HD13 ' B' ' 596' ' ' ILE . 24.3 t30 -83.11 -11.18 58.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.812 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.32 31.42 9.67 Favored Glycine 0 CA--C 1.508 -0.372 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.009 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.622 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 2.7 mt -109.64 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 120.756 0.312 . . . . 0.0 111.341 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -154.92 13.02 0.39 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.19 173.15 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.94 145.51 31.22 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.259 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.5 -38.18 2.46 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.315 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' B' ' 604' ' ' ARG . 4.8 t70 -62.31 -44.19 97.07 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.683 0.393 . . . . 0.0 111.639 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.408 ' HB3' HD21 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -62.16 -41.69 98.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.46 -40.0 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -62.1 -41.15 97.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' B' ' 612' ' ' ILE . 4.6 mm-40 -67.97 -35.67 78.76 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.419 ' HA ' HD11 ' B' ' 612' ' ' ILE . 27.7 t80 -68.75 -37.67 79.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 0.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.2 -45.29 88.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.246 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.73 -38.2 33.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.712 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -119.9 128.42 53.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.734 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.96 3.59 44.43 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.07 22.18 11.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.23 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.551 HG22 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -49.44 -58.96 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.61 -41.56 81.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.765 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . 0.477 ' HG2' HD12 ' B' ' 623' ' ' LEU . 0.0 OUTLIER -68.36 -38.13 81.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.274 0.559 . . . . 0.0 110.572 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -66.55 -42.13 87.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' B' ' 590' ' ' LEU . 45.7 pt -71.9 -24.02 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.39 21.96 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.094 -1.05 . . . . 0.0 114.306 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.547 HG21 ' N ' ' B' ' 619' ' ' ASP . 14.7 mm -66.14 144.47 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.547 ' N ' HG21 ' B' ' 618' ' ' ILE . 4.2 t70 -64.85 124.98 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.792 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.8 OUTLIER -57.97 -29.17 65.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.345 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.28 60.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.913 0.387 . . . . 0.0 111.314 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -117.07 -7.27 11.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' B' ' 614' ' ' GLU . 1.5 tp -54.05 -44.41 71.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.636 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -47.89 83.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.233 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.413 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 1.7 tttt -67.88 -38.42 83.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.571 ' HH ' ' CG ' ' B' ' 587' ' ' ASP . 3.1 m-85 -65.24 -48.3 73.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.66 -32.7 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.28 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.38 -51.23 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.588 . . . . 0.0 109.415 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.835 ' HB1' ' HE1' ' B' ' 578' ' ' PHE . . . -68.21 -41.01 81.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.708 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.25 -49.93 75.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.169 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.4 mm? -62.87 -45.09 94.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.866 0.365 . . . . 0.0 110.519 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.456 ' HB3' ' HB3' ' B' ' 553' ' ' ALA . 17.5 m -63.89 -37.61 88.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.785 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.92 -42.6 98.43 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.4 -41.44 93.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 23.8 mmt180 -61.79 -45.58 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 30.0 mt -62.12 -47.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.666 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.513 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -57.66 -45.43 85.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.327 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.588 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -71.06 -35.54 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.975 -179.533 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.705 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.23 -25.35 65.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.568 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.9 mmt -66.24 -41.15 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.378 0.608 . . . . 0.0 110.067 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -6.28 39.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.76 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.705 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 7.0 tp -54.53 116.46 10.91 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.154 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -81.42 72.09 6.57 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.814 2.342 . . . . 0.0 111.664 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.609 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 2.0 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.165 0.507 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.72 138.38 44.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.601 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -101.06 132.52 46.45 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.316 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -115.19 126.26 54.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' THR . . . . . 0.418 ' HB ' HG21 ' B' ' 534' ' ' THR . 0.0 OUTLIER -84.72 98.06 10.02 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.181 0.515 . . . . 0.0 110.369 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.44 145.94 27.89 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.185 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.16 120.11 31.83 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.1 mm? -119.4 126.76 52.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 156.1 39.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -33.03 64.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.555 0.616 . . . . 0.0 112.498 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.43 66.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.89 -30.7 35.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.133 0.492 . . . . 0.0 111.671 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 537' ' ' LEU . 72.4 t80 -55.04 -45.78 75.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.249 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.663 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.2 p -67.33 -33.1 74.55 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.899 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -44.68 83.91 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.045 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.79 -43.2 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 111.473 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.81 HG11 ' HB3' ' A' ' 638' ' ' GLU . 45.0 t -60.08 -50.13 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.74 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.702 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -64.33 -39.06 93.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.406 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.528 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 4.7 t80 -58.49 -51.32 70.34 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.62 0.575 . . . . 0.0 111.295 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.56 ' HB3' ' NE ' ' A' ' 635' ' ' ARG . 19.8 mt -71.69 -26.22 62.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.786 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.89 75.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.702 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.7 mmt85 -63.24 -48.69 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.414 0.626 . . . . 0.0 110.181 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.12 -34.35 76.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.453 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 636' ' ' ILE . . . -78.28 -17.79 56.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -82.82 -33.46 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.08 155.69 46.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.27 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.04 127.84 25.67 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.34 1.36 . . . . 0.0 108.649 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.51 -27.33 0.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -85.3 160.08 19.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.819 0.342 . . . . 0.0 110.531 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -68.63 -42.55 77.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.749 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.496 ' O ' ' HB ' ' A' ' 561' ' ' VAL . 15.1 p-90 -135.8 178.12 7.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.935 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 560' ' ' TRP . 1.0 OUTLIER 80.72 121.05 0.03 OUTLIER Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 109.966 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 15.6 Cg_exo -68.63 84.24 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.24 2.627 . . . . 0.0 111.822 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -45.85 20.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.074 -178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.92 -49.99 73.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 569' ' ' ILE . 8.6 p -65.83 -31.8 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.681 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.579 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.91 -42.24 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.178 -179.539 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.46 ' HB3' HD12 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -73.53 -14.86 61.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.281 0.562 . . . . 0.0 110.283 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -16.56 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.898 HG23 ' HB3' ' A' ' 577' ' ' ARG . 59.4 mt -74.58 133.27 31.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.966 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 571' ' ' PRO . 4.7 tp -89.03 115.52 63.84 Favored Pre-proline 0 N--CA 1.437 -1.097 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.608 ' O ' ' HB2' ' A' ' 599' ' ' MET . 18.6 Cg_endo -59.06 -1.68 0.93 Allowed 'Trans proline' 0 CA--C 1.522 -0.111 0 C-N-CA 123.018 2.478 . . . . 0.0 112.832 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 570' ' ' LEU . 63.4 p -79.5 -17.04 54.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.59 -15.59 54.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.773 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 110.21 -122.08 6.19 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.402 HD23 ' CG2' ' A' ' 596' ' ' ILE . 0.1 OUTLIER -129.58 -4.0 4.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.4 -42.85 74.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.898 ' HB3' HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.57 -37.84 80.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.935 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.451 ' HA ' HD13 ' A' ' 569' ' ' ILE . 56.4 t80 -63.2 -47.42 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.207 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.18 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.234 0.54 . . . . 0.0 109.723 179.101 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.7 m -60.59 -39.1 86.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.322 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 565' ' ' VAL . . . -57.43 -42.67 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.804 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.51 HG13 ' HB2' ' A' ' 584' ' ' ALA . 3.0 pt -94.48 9.09 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp 62.1 41.85 10.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.709 ' HB3' HD13 ' A' ' 579' ' ' LEU . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.84 -15.64 58.22 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.115 -0.564 . . . . 0.0 114.254 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -110.01 -4.99 15.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.666 0.733 . . . . 0.0 111.672 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.471 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-20 -74.76 -23.67 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.12 -25.65 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.447 HG13 HD21 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.17 -33.51 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.659 178.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 589' ' ' VAL . 0.6 OUTLIER -71.99 -40.23 68.71 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.068 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.596 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 84.5 m-85 -67.46 -41.95 83.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.958 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -58.45 -36.09 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.45 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.15 93.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.154 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.511 ' HB3' HD12 ' A' ' 596' ' ' ILE . 30.6 t30 -85.51 -9.91 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.811 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.56 25.65 27.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.292 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.596 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 4.4 mt -100.94 103.13 14.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.792 0.329 . . . . 0.0 111.291 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.64 17.61 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.72 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.39 171.75 10.19 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.608 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -80.67 133.97 35.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.427 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 85.25 -29.19 4.4 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.561 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -45.75 91.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.52 92.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -42.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -62.63 -40.47 97.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 6.3 mm-40 -67.57 -33.81 75.78 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 59.9 t80 -66.92 -40.16 87.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.996 0.427 . . . . 0.0 109.976 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.93 -49.8 48.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -17.15 56.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m-70 -123.61 -62.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 80.84 -30.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.01 0.819 . . . . 0.0 110.139 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.504 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 48.7 p-10 -101.1 25.75 7.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.695 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -52.15 -59.75 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.698 -179.092 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.415 ' HA ' HG12 ' A' ' 616' ' ' ILE . 3.0 m-85 -57.19 -38.42 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.235 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -43.21 83.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.285 0.564 . . . . 0.0 110.574 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -70.05 -42.93 72.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.957 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.415 HG12 ' HA ' ' A' ' 613' ' ' PHE . 48.3 pt -66.43 -26.64 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.656 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.81 25.78 4.11 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.866 -1.159 . . . . 0.0 114.589 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 619' ' ' ASP . 15.4 mm -66.8 142.75 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.743 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 26.4 t70 -65.16 133.53 51.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.602 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.85 -29.07 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.294 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 -6.87 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.0 0.429 . . . . 0.0 111.123 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.743 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 12.7 mtpt -121.52 -6.83 9.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.96 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -53.97 -45.59 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -44.87 96.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.412 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -68.86 -36.9 78.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.496 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -69.47 -47.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.504 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 5.0 m-85 -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 0.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.6 -49.58 70.56 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.025 0.441 . . . . 0.0 110.818 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.89 80.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.419 ' HE2' HD12 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.18 -48.09 83.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.622 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.3 OUTLIER -59.02 -44.59 91.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.071 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -41.75 86.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.201 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -61.93 -46.34 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.406 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.96 -39.36 94.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.622 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.9 mtp180 -59.72 -45.5 91.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.748 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 567' ' ' SER . 13.5 mt -70.17 -44.23 78.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.69 -39.79 77.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.169 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.81 ' HB3' HG11 ' A' ' 546' ' ' VAL . 2.8 tp10 -71.64 -38.11 70.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.33 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.08 -38.39 85.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.486 0.66 . . . . 0.0 110.164 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -5.24 44.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.956 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -62.63 133.21 94.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . 0.407 ' HD2' HG22 ' A' ' 543' ' ' THR . 72.3 Cg_endo . . . . . 0 C--O 1.234 0.322 0 C-N-CA 122.6 2.2 . . . . 0.0 111.387 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.69 137.82 33.59 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.206 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -88.02 130.12 35.07 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -116.26 131.01 57.06 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.31 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 534' ' ' THR . . . . . 0.418 HG21 ' HB ' ' A' ' 534' ' ' THR . 0.0 OUTLIER -79.73 122.16 26.24 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 542' ' ' TYR . 12.5 tp -112.49 134.49 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.62 120.88 32.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.247 0.546 . . . . 0.0 110.935 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -120.41 134.18 55.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.27 154.82 34.86 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.609 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -56.97 -40.41 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.057 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.42 84.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.43 -31.19 33.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.668 ' HH ' ' HG2' ' B' ' 638' ' ' GLU . 84.9 t80 -56.43 -51.57 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.052 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.456 ' HA ' HD23 ' B' ' 642' ' ' LEU . 13.4 p -61.87 -33.89 75.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.013 0.435 . . . . 0.0 111.479 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -44.97 75.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 29.9 t -71.92 -42.79 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.568 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' B' ' 642' ' ' LEU . 55.4 t -59.66 -50.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.783 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.62 -37.34 87.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.565 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.499 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.1 t80 -59.35 -48.31 82.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.14 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.933 ' HB3' ' HD3' ' B' ' 635' ' ' ARG . 21.1 mt -71.39 -30.22 65.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.207 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' B' ' 636' ' ' ILE . . . -63.27 -35.41 80.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.9 mmt180 -68.49 -40.19 81.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.662 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.2 -35.74 81.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.01 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.527 ' HB2' HD12 ' B' ' 636' ' ' ILE . . . -78.67 -26.05 44.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.618 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.408 ' HE3' HG22 ' B' ' 636' ' ' ILE . 43.6 mttt -79.22 -38.79 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.461 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.93 156.71 34.83 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -70.7 125.14 11.35 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 N-CA-C 108.845 -1.252 . . . . 0.0 108.845 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 25.14 0.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.699 0.761 . . . . 0.0 110.382 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -137.53 139.81 40.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.673 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -4.26 47.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.586 0.708 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.437 ' O ' ' HB ' ' B' ' 561' ' ' VAL . 26.3 p-90 -149.98 160.87 43.28 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 560' ' ' TRP . 1.0 OUTLIER 74.88 117.02 0.03 OUTLIER Pre-proline 0 C--O 1.238 0.472 0 CA-C-O 121.307 0.575 . . . . 0.0 110.253 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.566 ' HB2' HG11 ' B' ' 565' ' ' VAL . 12.9 Cg_exo -71.15 81.3 1.18 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.179 2.586 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.42 80.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.919 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.51 85.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.582 ' O ' HG13 ' B' ' 569' ' ' ILE . 8.6 p -71.64 -32.91 47.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.01 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.57 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.55 -41.57 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.467 -179.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.421 ' HB3' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -72.14 -21.9 61.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.443 0.639 . . . . 0.0 109.896 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -79.45 -15.16 58.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.036 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.71 HG21 ' HB3' ' B' ' 577' ' ' ARG . 69.5 mt -74.5 140.43 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.298 0.571 . . . . 0.0 111.289 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -98.5 117.54 64.53 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 176.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' B' ' 599' ' ' MET . 27.8 Cg_endo -61.83 -2.9 3.14 Favored 'Trans proline' 0 C--N 1.336 -0.106 0 C-N-CA 122.468 2.112 . . . . 0.0 111.998 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.468 ' H ' ' C ' ' B' ' 570' ' ' LEU . 70.2 p -80.32 -14.42 58.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.045 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.4 OUTLIER -92.34 -1.89 56.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.081 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 107.08 -144.1 15.87 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.403 HD22 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -121.01 -8.4 9.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.12 71.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.71 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.38 -38.33 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.741 ' HE1' ' HB1' ' B' ' 629' ' ' ALA . 14.2 t80 -66.83 -42.63 85.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.649 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' B' ' 579' ' ' LEU . 0.2 OUTLIER -65.78 -42.68 90.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.784 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 25.1 m -61.07 -38.87 87.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.316 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -55.82 -39.04 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.562 HG13 ' HB3' ' B' ' 584' ' ' ALA . 17.6 pt -99.21 6.77 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.47 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.29 43.06 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.92 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.735 ' HB2' ' OH ' ' B' ' 626' ' ' TYR . . . -95.05 47.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.995 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.41 63.29 2.61 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.561 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.36 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 0.0 109.208 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.42 ' HA ' ' CD2' ' B' ' 590' ' ' LEU . 2.3 m-20 -68.1 -23.65 64.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.43 -25.42 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.593 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.496 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.4 OUTLIER -64.69 -34.02 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.328 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.496 ' N ' HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -63.01 -36.93 85.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.485 0.66 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 78.7 m-85 -67.61 -44.04 79.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.373 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.12 -36.92 76.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.014 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.11 97.95 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.796 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.547 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.4 t30 -81.48 -13.15 58.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.01 15.14 55.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.94 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' B' ' 594' ' ' ASN . 8.6 mt -88.93 101.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.282 . . . . 0.0 110.881 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.71 19.02 0.27 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.177 0.513 . . . . 0.0 109.966 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.8 171.31 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.584 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.83 133.05 35.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.307 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' B' ' 604' ' ' ARG . . . 87.2 -29.63 5.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.26 -43.95 98.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.569 0.223 . . . . 0.0 111.502 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -42.57 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.517 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.474 HD12 ' HG2' ' B' ' 637' ' ' GLN . 1.2 mp -69.12 -40.8 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.135 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.513 ' HG3' ' HE3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -61.08 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.389 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.771 ' HB3' HG22 ' B' ' 612' ' ' ILE . 1.1 mm-40 -68.04 -32.8 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.82 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.407 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 88.3 t80 -67.3 -38.91 85.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.078 0.466 . . . . 0.0 110.317 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.81 -42.36 61.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . 0.513 ' HE3' ' HG3' ' B' ' 604' ' ' ARG . 3.4 mtmp? -77.3 -31.96 55.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 3.8 m-70 -117.28 -62.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -176.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 84.13 -23.04 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.378 1.049 . . . . 0.0 110.196 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.42 25.86 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.609 . . . . 0.0 109.813 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.771 HG22 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -52.79 -57.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.401 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.8 m-85 -58.01 -42.32 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.866 0.365 . . . . 0.0 111.271 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.73 -37.46 86.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.317 0.58 . . . . 0.0 110.156 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -69.14 -43.11 75.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.807 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 47.9 pt -72.38 -21.66 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.91 27.92 4.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.856 -1.164 . . . . 0.0 113.732 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 22.3 mm -67.03 145.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.458 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 16.5 t0 -64.87 121.48 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.317 . . . . 0.0 111.046 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 3.1 m -60.44 -30.29 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.033 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -14.62 63.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 27.9 mtpt -119.94 -1.93 10.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.705 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 0.5 OUTLIER -54.0 -44.42 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.775 -178.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.3 86.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.061 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.407 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -66.82 -38.84 87.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.735 ' OH ' ' HB2' ' B' ' 584' ' ' ALA . 2.7 m-85 -65.7 -50.83 63.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.38 -32.13 73.61 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.433 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -62.33 -48.77 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.741 ' HB1' ' HE1' ' B' ' 578' ' ' PHE . . . -66.52 -37.5 85.16 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.606 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -47.65 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.102 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' B' ' 635' ' ' ARG . 0.6 OUTLIER -61.5 -40.83 96.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 39.0 m -57.65 -46.16 84.55 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.746 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -42.16 98.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.562 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -66.94 -37.99 85.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.933 ' HD3' ' HB3' ' B' ' 549' ' ' LEU . 39.8 mtt180 -58.26 -45.7 87.33 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.399 0.619 . . . . 0.0 109.799 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.527 HD12 ' HB2' ' B' ' 553' ' ' ALA . 10.0 mt -71.1 -47.03 63.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.474 ' HG2' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -59.49 -44.0 93.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.726 -179.132 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.668 ' HG2' ' HH ' ' B' ' 542' ' ' TYR . 7.4 tp10 -64.19 -35.11 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -66.8 -22.42 66.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.51 -33.37 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . 0.578 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -89.59 -10.68 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.42 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 2.0 tp -73.43 126.21 90.14 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.649 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.442 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 91.9 Cg_endo -87.87 -140.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.891 2.394 . . . . 0.0 110.777 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.442 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.484 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.632 ' HE1' ' HB3' ' B' ' 538' ' ' SER . 1.6 t80 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.77 155.68 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -121.14 152.16 39.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.27 130.46 26.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.849 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 133.98 39.66 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.94 0.4 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.47 147.1 48.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' THR . . . . . 0.673 HG21 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -91.21 122.02 33.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.622 HD12 HG23 ' A' ' 545' ' ' VAL . 0.8 OUTLIER -104.98 133.36 49.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.778 -178.261 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -71.7 158.29 36.4 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -50.87 70.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.0 78.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.114 0.483 . . . . 0.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.66 -30.35 64.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.688 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' ' 538' ' ' SER . 53.6 t80 -56.22 -50.92 69.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.102 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.652 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.4 p -68.65 -34.22 75.34 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.34 -44.52 87.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.897 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.622 HG23 HD12 ' A' ' 537' ' ' LEU . 53.9 t -71.96 -44.65 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.805 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.571 ' HB ' HD22 ' A' ' 642' ' ' LEU . 55.0 t -59.77 -49.61 83.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.031 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -65.82 -32.75 74.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.95 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 0.8 OUTLIER -60.79 -47.3 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.039 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.6 mt -71.3 -27.99 63.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.055 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.6 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 7.8 mmt-85 -68.34 -36.47 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.56 -40.38 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.139 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.31 -20.05 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.169 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -83.87 -49.28 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 32.6 t -92.79 115.57 65.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.87 128.39 17.76 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.557 2.171 . . . . 0.0 112.72 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 40.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -117.76 161.64 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.428 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -113.22 -1.77 14.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.418 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 1.8 p -104.04 113.0 65.69 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.444 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.5 Cg_endo -86.32 75.9 2.75 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.336 2.691 . . . . 0.0 110.805 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -60.16 -22.54 63.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.491 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.81 -38.22 69.69 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.5 p -80.3 -28.2 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.473 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -68.76 -37.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -14.83 61.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 109.829 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.57 -18.71 30.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.333 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.715 HG12 ' HD2' ' A' ' 577' ' ' ARG . 42.2 mt -76.52 141.99 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.367 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.675 ' O ' ' HG3' ' A' ' 573' ' ' GLU . 0.8 OUTLIER -97.79 124.08 49.36 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 599' ' ' MET . 34.9 Cg_endo -67.9 19.19 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.578 2.185 . . . . 0.0 111.862 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.601 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 66.7 p -109.21 -14.31 14.51 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.806 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.675 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 1.1 mt-10 -86.84 -43.94 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 142.46 -166.33 26.49 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -94.36 -8.37 39.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 110.099 179.445 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -44.53 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.205 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.715 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.1 -37.37 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.668 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -62.04 -44.7 96.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.948 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 575' ' ' LEU . 0.4 OUTLIER -65.22 -39.97 93.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 50.4 m -61.32 -38.72 87.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.56 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.269 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.51 HG13 ' HB2' ' A' ' 584' ' ' ALA . 3.1 pt -105.1 6.99 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 43.82 4.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.203 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.774 ' HB1' ' OH ' ' A' ' 626' ' ' TYR . . . -115.17 45.75 1.58 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.936 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -60.63 -27.98 67.11 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.757 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -84.78 -27.13 27.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.041 0.448 . . . . 0.0 111.407 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.32 -22.96 59.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.169 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.537 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.99 -25.2 60.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.43 HG11 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.83 -33.71 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.385 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.43 HD22 HG11 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -64.52 -35.57 81.39 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.532 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.625 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 57.1 m-85 -67.73 -41.65 83.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.708 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.57 -35.83 70.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.718 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.31 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.505 ' HB3' HD13 ' A' ' 596' ' ' ILE . 9.3 t30 -79.21 -13.3 59.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.7 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.92 11.57 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.671 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.625 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 2.0 mt -108.24 101.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.585 -0.308 . . . . 0.0 110.8 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.89 8.74 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.879 0.371 . . . . 0.0 110.803 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 172.62 6.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.437 0.637 . . . . 0.0 112.536 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.601 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.29 137.75 35.77 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.644 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.04 -19.55 7.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 599' ' ' MET . 2.2 t0 -60.43 -45.26 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.15 0.58 . . . . 0.0 110.676 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.67 -40.19 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.388 -179.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -68.52 -42.44 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 109.858 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -41.59 99.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.652 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.551 ' HB3' HG23 ' A' ' 612' ' ' ILE . 5.5 mm-40 -66.61 -34.93 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.493 ' HA ' HD12 ' A' ' 612' ' ' ILE . 57.6 t80 -66.93 -38.62 86.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.469 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.93 -39.46 69.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -72.63 -36.43 68.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.774 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -120.04 -134.46 0.32 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.0 -29.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.09 28.99 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.754 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.551 HG23 ' HB3' ' A' ' 605' ' ' GLU . 0.4 OUTLIER -55.22 -63.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.692 -178.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -57.67 -38.56 75.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 0.0 111.352 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -45.3 80.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.867 0.365 . . . . 0.0 111.277 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -68.15 -40.34 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.623 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.402 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.9 pt -67.26 -25.46 33.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.613 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.89 24.82 4.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.145 -1.026 . . . . 0.0 114.29 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 21.2 mm -66.34 145.85 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.48 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.3 t0 -65.12 124.41 22.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.675 0.274 . . . . 0.0 110.664 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.693 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.684 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -15.97 62.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.205 0.526 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.541 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 17.2 mtpt -120.92 -4.27 9.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.441 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.693 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.3 tp -53.83 -44.19 70.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.767 -177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -43.5 94.92 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.224 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -67.82 -37.3 81.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.461 . . . . 0.0 110.884 -179.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.774 ' OH ' ' HB1' ' A' ' 584' ' ' ALA . 2.1 m-30 -67.85 -48.03 67.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.223 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.12 -35.27 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.403 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -46.67 89.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 110.158 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.9 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.4 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.1 OUTLIER -59.09 -49.99 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.947 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.02 -42.99 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.494 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 20.4 m -58.33 -46.24 86.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.663 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -40.54 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -59.48 -37.5 78.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.026 0.441 . . . . 0.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -40.88 74.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 640' ' ' MET . 89.8 mt -59.58 -45.84 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.094 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.64 -40.65 79.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.866 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -73.46 -39.47 64.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.191 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.724 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.99 -25.36 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.682 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.1 mtt -67.05 -37.79 84.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -6.52 35.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.48 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.724 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 2.8 tp -63.27 127.76 91.5 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.014 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 N--CA 1.456 -0.729 0 C-N-CA 123.293 2.662 . . . . 0.0 111.631 178.574 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 121.388 0.613 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 2.8 m -150.6 152.27 33.81 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.949 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -104.91 147.16 28.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.6 0.714 . . . . 0.0 112.641 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -137.91 132.11 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.372 178.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 534' ' ' THR . . . . . 0.673 HG23 HG21 ' A' ' 536' ' ' THR . 0.0 OUTLIER -73.68 115.23 12.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.604 0.716 . . . . 0.0 111.911 -178.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 13.4 tp -98.01 149.26 22.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.21 118.89 31.77 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 111.053 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.489 HD13 HG21 ' B' ' 545' ' ' VAL . 0.6 OUTLIER -123.82 141.59 51.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.632 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -89.68 158.34 17.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -45.25 94.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 119.173 0.897 . . . . 0.0 111.55 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.66 87.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.35 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -32.19 55.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.323 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.471 ' HA ' HD11 ' B' ' 537' ' ' LEU . 86.1 t80 -56.63 -50.33 72.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.851 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.501 HG23 ' HD2' ' B' ' 643' ' ' PRO . 26.1 p -61.8 -35.14 77.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.34 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -65.52 -44.58 86.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.489 HG21 HD13 ' B' ' 537' ' ' LEU . 39.7 t -70.31 -43.28 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.517 ' HB ' HD22 ' B' ' 642' ' ' LEU . 42.3 t -59.52 -49.73 82.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.41 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.204 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.612 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.1 t80 -59.17 -49.89 76.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.206 0.527 . . . . 0.0 110.418 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.612 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 5.6 mt -72.01 -28.18 63.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.26 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.2 mmt180 -66.34 -48.37 70.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.059 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.4 -39.87 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.423 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.94 -19.45 57.35 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -88.95 -21.55 23.5 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.249 -0.282 . . . . 0.0 111.718 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' B' ' 556' ' ' PRO . 3.5 m -111.21 159.84 31.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.322 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' B' ' 555' ' ' VAL . 27.9 Cg_endo -65.66 128.18 19.51 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.589 1.526 . . . . 0.0 108.613 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 -38.97 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.058 0.456 . . . . 0.0 111.079 -177.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . 0.614 ' HB3' HG12 ' B' ' 561' ' ' VAL . 21.7 m-85 -100.9 124.01 45.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.907 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.33 -44.74 10.01 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -69.24 -24.47 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' B' ' 558' ' ' TYR . 2.6 p -125.12 121.78 25.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.516 ' HB2' HG12 ' B' ' 565' ' ' VAL . 90.6 Cg_endo -79.3 72.81 6.32 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.84 2.36 . . . . 0.0 113.147 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -27.6 54.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.461 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -59.42 -44.96 92.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 -179.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' B' ' 562' ' ' PRO . 12.7 p -74.69 -26.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.122 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.0 OUTLIER -65.51 -41.27 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.934 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.487 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.53 -21.12 61.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.384 0.611 . . . . 0.0 109.846 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.92 -18.28 50.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.929 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 60.2 mt -74.63 135.38 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.593 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.7 OUTLIER -86.43 117.1 68.13 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.666 ' O ' ' HB2' ' B' ' 599' ' ' MET . 41.5 Cg_endo -68.6 22.46 0.14 Allowed 'Trans proline' 0 C--N 1.336 -0.119 0 C-N-CA 122.821 2.347 . . . . 0.0 111.946 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.593 ' H ' ' C ' ' B' ' 570' ' ' LEU . 80.7 p -111.07 -7.87 14.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.84 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' B' ' 577' ' ' ARG . 0.0 OUTLIER -96.92 -34.08 11.37 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 143.01 -147.36 18.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.609 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.407 HD22 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -118.79 -1.57 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.754 0.311 . . . . 0.0 110.303 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 6.3 pt-20 -60.29 -39.67 87.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.274 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.49 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.03 -37.79 84.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.969 0.414 . . . . 0.0 110.083 178.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.88 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.818 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -42.84 91.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.831 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.3 m -60.2 -40.62 90.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.524 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -57.87 -44.53 86.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.039 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.57 HG13 ' HB2' ' B' ' 584' ' ' ALA . 10.9 pt -91.81 8.0 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.867 -178.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 62.51 39.48 11.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.57 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -87.17 45.67 1.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.01 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.14 54.17 2.25 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.288 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -178.15 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.404 0.621 . . . . 0.0 109.38 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -24.46 66.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.364 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.66 -26.4 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.864 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.526 HG11 ' N ' ' B' ' 590' ' ' LEU . 0.9 OUTLIER -61.7 -34.12 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.526 ' N ' HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.19 -36.94 84.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.933 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' B' ' 596' ' ' ILE . 86.6 m-85 -68.07 -44.69 75.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.539 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.86 88.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.805 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.432 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.8 t30 -83.65 -10.05 58.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.339 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.98 15.92 55.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.968 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' B' ' 591' ' ' PHE . 7.4 mt -96.68 84.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.614 -0.293 . . . . 0.0 110.85 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -131.83 11.19 4.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.992 0.425 . . . . 0.0 110.274 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.63 168.81 9.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.368 0.604 . . . . 0.0 112.074 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.666 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.06 137.33 34.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.972 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.34 -23.63 5.34 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.535 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' B' ' 599' ' ' MET . 0.6 OUTLIER -59.44 -39.75 84.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 110.606 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.68 -43.08 94.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.476 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.448 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.9 mt -67.88 -41.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -46.84 88.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.701 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' B' ' 612' ' ' ILE . 6.2 mm-40 -62.85 -33.35 75.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.156 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.509 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 70.5 t80 -63.36 -41.3 98.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.54 -43.36 90.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.633 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.556 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 88.7 m-70 -119.06 -71.94 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . 0.556 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 0.1 OUTLIER 103.31 -36.91 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.455 1.502 . . . . 0.0 110.587 -179.086 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.5 43.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.702 0.763 . . . . 0.0 109.093 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -59.87 -51.96 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.906 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.464 ' HB2' ' CZ ' ' B' ' 627' ' ' TYR . 2.5 m-85 -57.93 -42.18 84.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -39.94 93.35 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.421 0.629 . . . . 0.0 110.214 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.55 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.956 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.475 HD13 HD13 ' B' ' 618' ' ' ILE . 41.3 pt -71.07 -24.37 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.41 33.5 2.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.079 -1.058 . . . . 0.0 113.775 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.596 HG21 ' N ' ' B' ' 619' ' ' ASP . 23.6 mm -66.75 145.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 117.206 0.503 . . . . 0.0 110.143 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.596 ' N ' HG21 ' B' ' 618' ' ' ILE . 0.9 OUTLIER -65.14 122.66 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.473 . . . . 0.0 110.526 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.2 m -65.26 -21.27 66.71 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -17.08 63.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.192 0.52 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.693 ' HB3' ' HD3' ' B' ' 625' ' ' LYS . 0.1 OUTLIER -129.23 2.18 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.086 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.615 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -53.16 -44.16 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.045 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.09 83.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.319 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.693 ' HD3' ' HB3' ' B' ' 622' ' ' LYS . 0.0 OUTLIER -64.04 -34.26 77.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.559 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.6 m-85 -64.6 -51.16 64.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.607 ' HE2' HD12 ' B' ' 623' ' ' LEU . 21.6 m-85 -65.03 -33.27 75.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.239 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.73 -49.36 75.34 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.05 86.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.009 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -49.88 76.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.379 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -44.15 97.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.501 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.472 ' HA ' ' HE ' ' B' ' 635' ' ' ARG . 50.4 m -61.59 -42.98 99.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.51 96.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.53 -39.04 93.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.571 ' NH1' HD11 ' B' ' 549' ' ' LEU . 0.2 OUTLIER -65.46 -46.02 81.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.469 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.487 HD13 ' HB3' ' B' ' 567' ' ' SER . 24.8 mt -60.32 -41.87 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.439 0.638 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -46.21 89.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.467 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -37.01 85.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.351 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.661 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.46 -26.58 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.243 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -37.16 84.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.419 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -5.4 50.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.392 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.661 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.2 tp -68.82 125.83 92.22 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.726 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' B' ' 543' ' ' THR . 73.2 Cg_endo -77.27 49.83 2.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.927 2.418 . . . . 0.0 111.656 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.15 -179.583 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 121.017 0.437 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.84 146.04 33.91 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.01 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 631' ' ' LEU . 22.0 m-85 -105.13 132.43 51.35 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.44 126.11 44.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 123.16 29.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.12 0.486 . . . . 0.0 110.698 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.2 tp -109.34 145.52 35.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.97 122.28 34.34 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.121 0.486 . . . . 0.0 109.916 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.453 ' CB ' ' HD1' ' A' ' 542' ' ' TYR . 1.6 mm? -118.35 130.11 55.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.436 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' B' ' 530' ' ' TYR . 95.8 p -75.86 157.16 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.447 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.65 -29.06 58.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.54 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.21 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -83.4 -30.05 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.712 179.371 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.453 ' HD1' ' CB ' ' A' ' 537' ' ' LEU . 62.1 t80 -54.2 -50.41 67.16 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.982 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.457 HG21 ' HG ' ' A' ' 642' ' ' LEU . 3.0 p -67.58 -33.76 75.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -65.84 -44.0 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.6 t -71.64 -43.74 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 111.827 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 642' ' ' LEU . 53.5 t -60.4 -51.11 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.241 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.84 -33.16 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.4 t80 -60.63 -50.85 71.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.6 mt -70.79 -29.76 66.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.327 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.31 77.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.6 mmt85 -63.6 -46.07 87.45 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.381 0.61 . . . . 0.0 109.47 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.04 -39.76 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.31 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.66 -22.91 65.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.12 -20.76 60.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.352 0.596 . . . . 0.0 110.631 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.73 159.79 37.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.337 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -75.22 123.93 8.12 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 N-CA-C 108.537 -1.37 . . . . 0.0 108.537 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 56.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.401 0.619 . . . . 0.0 110.675 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -132.73 162.13 32.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.163 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -58.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.502 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -153.29 52.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.176 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.9 p -158.94 121.21 1.93 Allowed Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.871 0.367 . . . . 0.0 111.032 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 5.2 Cg_exo -75.33 99.67 1.29 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.103 2.536 . . . . 0.0 111.374 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.71 -10.51 59.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.788 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.02 -50.62 70.39 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 581' ' ' ALA . 10.6 p -70.06 -29.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -69.52 -40.12 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.608 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.431 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.26 -16.8 61.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.536 0.684 . . . . 0.0 109.906 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.33 -12.03 58.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.215 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.784 HG12 ' HD2' ' A' ' 577' ' ' ARG . 26.8 mt -83.4 134.92 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.3 OUTLIER -90.31 117.15 67.8 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 599' ' ' MET . 56.2 Cg_endo -69.46 28.4 0.17 Allowed 'Trans proline' 0 N--CA 1.471 0.181 0 C-N-CA 123.026 2.484 . . . . 0.0 112.594 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 570' ' ' LEU . 67.3 p -110.45 -16.76 13.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.2 -36.16 14.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.981 0.42 . . . . 0.0 110.634 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 146.52 -144.43 12.72 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.029 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.546 HD22 ' HB3' ' A' ' 602' ' ' MET . 0.2 OUTLIER -116.1 -5.38 11.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.785 0.326 . . . . 0.0 110.523 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -44.48 81.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.537 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.784 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.86 -37.94 89.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.636 ' HA ' HD12 ' A' ' 569' ' ' ILE . 51.3 t80 -62.3 -42.29 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.957 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -64.8 -45.42 86.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.944 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 29.7 m -60.52 -37.89 82.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 110.652 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.413 ' HB3' HG13 ' A' ' 565' ' ' VAL . . . -59.88 -40.71 89.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.571 HG13 ' HB2' ' A' ' 584' ' ' ALA . 18.3 pt -96.87 9.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 65.85 40.24 4.31 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.326 0.584 . . . . 0.0 111.288 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.571 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -99.26 47.74 0.96 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.248 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.65 52.83 3.2 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.833 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.02 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 109.824 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.28 -23.24 64.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.979 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.463 ' HB3' HD21 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -57.77 -25.76 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.594 HG13 HD23 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.21 -33.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.349 0.595 . . . . 0.0 110.127 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.594 HD23 HG13 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.35 -37.91 86.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.996 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.506 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 73.6 m-85 -67.53 -42.67 82.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.35 -40.31 74.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.286 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.85 98.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.631 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.437 ' HB3' HG13 ' A' ' 596' ' ' ILE . 6.5 t30 -82.22 -10.75 59.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.2 17.32 53.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.027 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' A' ' 591' ' ' PHE . 7.9 mt -95.58 87.35 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.789 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.01 15.26 3.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.923 0.392 . . . . 0.0 110.634 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 167.99 11.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.434 0.635 . . . . 0.0 112.127 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.667 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.21 133.68 35.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.584 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.63 -29.56 6.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.997 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -37.19 83.87 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.546 ' HB3' HD22 ' A' ' 575' ' ' LEU . 0.0 OUTLIER -64.47 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.927 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.2 mp -69.68 -43.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 109.716 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.43 -46.55 89.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.732 ' HB3' HG21 ' A' ' 612' ' ' ILE . 4.6 mm-40 -65.97 -33.83 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.757 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.555 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 8.0 t80 -64.88 -42.1 95.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.451 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -75.32 -37.29 60.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.091 0.472 . . . . 0.0 110.615 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -78.17 -32.04 49.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 25.7 m-70 -110.63 -53.29 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.01 -32.2 0.1 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.931 0.893 . . . . 0.0 111.147 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.619 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 30.8 p-10 -108.7 31.54 5.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.2 OUTLIER -52.58 -58.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.864 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -57.97 -41.02 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.537 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . 0.405 ' HG3' HD22 ' A' ' 623' ' ' LEU . 1.1 mt-10 -67.97 -35.51 78.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.474 0.654 . . . . 0.0 110.041 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -69.82 -43.06 72.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.443 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 618' ' ' ILE . 36.8 pt -72.73 -26.5 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.469 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.37 34.29 2.33 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.056 -1.068 . . . . 0.0 114.098 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.603 HG22 ' N ' ' A' ' 619' ' ' ASP . 22.0 mm -66.18 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.041 0.421 . . . . 0.0 110.12 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.603 ' N ' HG22 ' A' ' 618' ' ' ILE . 18.0 t0 -64.27 121.0 13.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.325 0.583 . . . . 0.0 110.506 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.481 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.8 OUTLIER -58.73 -31.88 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 113.22 -178.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -17.41 58.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' A' ' 625' ' ' LYS . 6.6 mtmm -132.63 3.36 3.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.948 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 3.4 tp -53.33 -44.19 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -45.13 92.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.72 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -62.25 -36.41 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.556 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-30 -67.64 -46.09 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.489 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.619 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 12.9 m-85 -64.62 -38.92 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.453 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.43 ' HB3' HG13 ' A' ' 561' ' ' VAL . 0.4 OUTLIER -61.37 -47.49 85.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.853 0.359 . . . . 0.0 110.622 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.27 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.97 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.73 81.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.819 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 532' ' ' PHE . 1.9 mm? -63.5 -44.87 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.013 0.435 . . . . 0.0 111.561 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -39.55 94.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.473 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 6.2 t80 -60.16 -46.65 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.89 89.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.417 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.431 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.5 mt -63.15 -48.31 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.626 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.501 ' HG2' ' HE2' ' A' ' 641' ' ' LYS . 6.2 tt0 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.481 ' HB3' HG12 ' A' ' 546' ' ' VAL . 2.1 tp10 -64.8 -37.5 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -66.42 -29.78 70.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.522 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.0 mmt -71.43 -32.13 68.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.317 0.58 . . . . 0.0 109.873 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . 0.501 ' HE2' ' HG2' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.79 -6.0 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.507 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 546' ' ' VAL . 3.5 tp -63.03 138.61 97.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.959 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 122.539 2.16 . . . . 0.0 110.961 178.236 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 143.58 57.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.166 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . 0.82 ' HZ ' HD22 ' B' ' 631' ' ' LEU . 17.9 m-85 -87.93 145.99 25.76 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.068 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -126.25 142.21 51.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.504 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.41 123.28 31.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.082 0.468 . . . . 0.0 111.786 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 542' ' ' TYR . 13.7 tp -110.5 142.37 42.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.531 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 120.45 32.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.453 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -122.2 124.08 42.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.04 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.87 157.16 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.47 48.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.49 74.95 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.45 -30.28 42.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 111.256 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.453 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 75.3 t80 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.292 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.42 ' HA ' HD23 ' B' ' 642' ' ' LEU . 1.7 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 111.137 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -42.5 90.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.434 HG21 HD12 ' B' ' 537' ' ' LEU . 41.4 t -70.48 -44.63 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.487 ' HB ' HD23 ' B' ' 642' ' ' LEU . 55.7 t -60.3 -50.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.627 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.741 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.76 -37.02 85.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.897 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.495 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.3 t80 -57.6 -50.86 71.76 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.366 0.416 . . . . 0.0 111.286 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -69.44 -31.26 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.76 73.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.741 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 22.1 mmt85 -66.71 -44.84 80.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.713 0.292 . . . . 0.0 110.528 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.48 -32.22 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.356 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.129 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.459 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 14.8 mtmt -76.61 -62.26 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.96 122.23 68.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -45.07 124.96 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.664 2.242 . . . . 0.0 113.149 -177.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -142.08 14.84 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.73 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.1 160.49 22.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.689 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.34 -40.26 4.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -103.19 -0.47 30.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.4 p -131.64 117.08 16.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.074 0.464 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.12 85.87 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.879 2.386 . . . . 0.0 112.048 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -20.13 34.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 7.7 pm0 -59.22 -33.53 71.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.906 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.502 ' CG1' ' HB1' ' B' ' 581' ' ' ALA . 11.3 p -81.11 -28.05 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.433 . . . . 0.0 110.207 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.534 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -69.89 -39.58 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.062 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 0.2 OUTLIER -73.79 -13.74 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.383 0.611 . . . . 0.0 110.302 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -14.71 51.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.013 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.76 HG21 ' HB3' ' B' ' 577' ' ' ARG . 8.2 mt -83.54 141.35 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.051 0.453 . . . . 0.0 111.478 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -91.08 119.12 68.88 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.649 ' O ' ' HB2' ' B' ' 599' ' ' MET . 54.7 Cg_endo -68.5 24.97 0.14 Allowed 'Trans proline' 0 N--CA 1.473 0.284 0 C-N-CA 123.123 2.549 . . . . 0.0 112.625 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.541 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.4 p -109.13 -10.92 14.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 -48.11 6.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.62 -143.47 9.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.441 HD23 HG21 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.6 -5.45 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.786 0.293 . . . . 0.0 111.058 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -43.06 75.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 111.357 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.76 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.65 -37.16 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.13 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.618 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 33.6 t80 -64.72 -44.77 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.789 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -64.07 -42.24 97.04 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.6 m -61.4 -37.89 85.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.073 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.502 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -55.91 -40.07 72.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.797 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.467 HG13 ' HB3' ' B' ' 584' ' ' ALA . 16.1 pt -99.17 8.79 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.363 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 43.75 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.703 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' B' ' 626' ' ' TYR . . . -103.15 41.38 1.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.904 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.35 68.02 1.8 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.569 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -178.2 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.684 0.754 . . . . 0.0 109.221 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.08 -21.66 59.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.923 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.571 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.59 -25.87 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.842 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 590' ' ' LEU . 1.0 OUTLIER -60.16 -33.88 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.221 0.534 . . . . 0.0 110.16 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.504 ' N ' HG13 ' B' ' 589' ' ' VAL . 1.2 mm? -64.35 -38.93 92.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.268 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.571 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 80.0 m-85 -68.8 -44.08 74.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.296 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.94 -39.81 78.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.14 86.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.132 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.45 ' HB3' HG13 ' B' ' 596' ' ' ILE . 3.8 t30 -83.06 -13.67 55.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.3 43.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.028 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.45 HG13 ' HB3' ' B' ' 594' ' ' ASN . 8.7 mt -97.32 107.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -167.7 25.99 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.318 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.12 171.4 10.88 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.458 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.649 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.91 132.82 35.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.594 179.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.23 -32.62 2.52 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -60.0 -46.0 90.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.066 0.546 . . . . 0.0 110.855 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.73 91.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -39.66 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -41.13 98.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.433 ' HB3' HG22 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -66.47 -35.48 80.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.582 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 21.7 t80 -66.22 -38.59 88.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.28 -38.91 71.8 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.447 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -78.37 -39.83 38.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.083 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.47 -38.72 7.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 74.5 -49.55 0.67 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.024 0.53 . . . . 0.0 111.499 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.57 45.65 0.96 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.965 0.888 . . . . 0.0 108.897 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -57.16 -54.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.69 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.6 m-85 -57.54 -37.41 73.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 110.277 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -41.45 92.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -42.96 72.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.524 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.8 pt -70.33 -21.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . 0.402 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 108.43 30.27 3.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.941 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.582 HG21 ' N ' ' B' ' 619' ' ' ASP . 18.9 mm -66.13 146.61 13.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.582 ' N ' HG21 ' B' ' 618' ' ' ILE . 8.7 t0 -63.67 120.65 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.113 0.482 . . . . 0.0 110.058 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.4 OUTLIER -54.64 -37.29 65.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.029 -178.258 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -13.25 47.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 111.817 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 15.5 mtpt -125.15 -1.56 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.73 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 14.4 tp -54.64 -45.49 73.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.754 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -42.65 99.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.631 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.506 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 2.6 tttt -65.64 -36.74 84.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.641 ' OH ' ' HB2' ' B' ' 584' ' ' ALA . 2.8 m-30 -68.89 -45.91 69.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.4 -36.5 82.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.74 -49.89 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.371 0.605 . . . . 0.0 109.759 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.618 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -68.19 -41.97 80.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.619 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.99 -49.47 76.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.86 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.82 HD22 ' HZ ' ' B' ' 532' ' ' PHE . 3.2 mm? -63.9 -43.6 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.561 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 37.5 m -61.5 -40.88 96.2 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.082 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.33 -44.44 94.89 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.25 -39.58 87.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.899 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.451 HH21 ' CD ' ' A' ' 541' ' ' GLU . 0.0 OUTLIER -65.01 -44.23 89.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.196 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.3 -44.92 99.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.44 -40.9 96.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -63.41 -28.65 70.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.472 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.54 0.686 . . . . 0.0 109.79 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.42 -5.26 43.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.044 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.646 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 3.6 tp -69.21 134.31 89.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.465 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.04 -158.0 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.8 2.333 . . . . 0.0 111.105 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.869 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.522 ' HD1' ' HE1' ' A' ' 532' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 121.105 0.478 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.22 133.09 43.13 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.121 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.527 ' HB2' ' ND2' ' A' ' 610' ' ' ASN . 13.7 m-30 -90.48 129.23 36.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.409 0.623 . . . . 0.0 110.937 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -113.45 125.37 54.15 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.838 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' THR . . . . . 0.414 HG22 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.71 105.15 12.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.83 0.348 . . . . 0.0 110.255 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -104.86 147.62 27.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.18 126.86 36.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -114.38 137.7 51.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.195 -178.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.481 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -81.71 157.99 24.38 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -46.78 60.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.35 82.56 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -30.88 42.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.74 0.305 . . . . 0.0 111.339 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.498 ' HA ' HD11 ' A' ' 537' ' ' LEU . 77.9 t80 -55.91 -51.18 68.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.544 ' CG2' ' HG ' ' A' ' 642' ' ' LEU . 2.1 p -67.52 -34.5 77.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.179 0.514 . . . . 0.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -66.16 -44.78 83.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.542 HG11 HG13 ' B' ' 545' ' ' VAL . 59.2 t -71.21 -43.07 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.072 0.463 . . . . 0.0 111.68 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 638' ' ' GLU . 54.7 t -60.2 -50.54 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.175 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.7 OUTLIER -69.33 -34.07 74.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.555 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.545 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.8 t80 -59.7 -51.87 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 110.894 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -72.68 -26.3 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.0 73.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.5 mmt85 -65.86 -43.12 89.37 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -44.06 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -65.11 -21.29 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.967 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -79.8 -11.99 59.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 0.0 110.182 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.97 131.76 22.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.128 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 10.1 Cg_endo -54.71 128.82 31.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.539 2.159 . . . . 0.0 111.923 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -119.22 -13.45 9.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.946 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -130.72 160.71 33.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.957 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -45.23 8.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -40.65 60.63 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.157 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -104.19 105.96 51.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 0.0 110.394 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.84 110.61 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.64 2.226 . . . . 0.0 111.662 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -33.58 53.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.048 -178.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 8.0 tm0? -65.2 -45.9 82.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.9 p -61.47 -34.25 60.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.303 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.48 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.3 t -67.65 -39.99 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.901 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.44 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.08 -15.22 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.334 0.588 . . . . 0.0 109.689 178.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.74 -20.59 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.259 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.646 HG22 ' HB3' ' A' ' 577' ' ' ARG . 40.7 mt -74.55 141.04 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.547 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.5 OUTLIER -93.58 119.92 66.76 Favored Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 16.73 0.14 Allowed 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.932 2.421 . . . . 0.0 112.394 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 62.1 p -107.98 -0.63 21.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 2.5 mt-10 -100.15 -29.48 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.068 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 130.5 -159.73 22.91 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 1.23 28.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.236 0.541 . . . . 0.0 109.574 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -46.96 78.79 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.729 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.646 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.94 -37.46 78.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.728 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.704 ' HE1' ' HB2' ' A' ' 629' ' ' ALA . 74.5 t80 -58.79 -48.6 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -66.44 -32.47 73.87 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 54.1 m -64.35 -45.18 88.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.971 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.505 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -55.92 -39.6 71.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.566 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.552 HD11 ' HD1' ' A' ' 626' ' ' TYR . 0.5 OUTLIER -93.65 5.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.454 -178.487 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 60.17 38.39 20.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.609 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.409 ' HB1' ' OH ' ' A' ' 626' ' ' TYR . . . -83.39 -89.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.71 -51.51 4.28 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.076 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -35.06 67.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.498 0.666 . . . . 0.0 110.914 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.609 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 1.6 m-20 -62.01 -24.23 66.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -57.08 -24.52 54.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.918 0.389 . . . . 0.0 110.034 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 590' ' ' LEU . 0.7 OUTLIER -60.77 -34.44 59.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.967 178.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -70.02 -39.64 75.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.251 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.428 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 91.7 m-85 -67.21 -44.56 79.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.359 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.18 -38.77 80.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.108 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.59 95.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.09 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.468 ' HB3' HG13 ' A' ' 596' ' ' ILE . 7.6 t30 -80.43 -14.0 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.2 11.13 53.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.815 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' ' 594' ' ' ASN . 5.2 mt -91.3 81.06 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.66 7.43 7.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.95 0.405 . . . . 0.0 110.303 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.6 170.9 7.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -84.03 137.98 33.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.929 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.15 -27.61 4.46 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.007 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -37.81 82.7 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.32 -40.81 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.939 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.462 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mp -69.88 -42.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.036 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -59.51 -45.8 90.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.535 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.41 ' HB3' HG21 ' A' ' 612' ' ' ILE . 1.6 mm-40 -66.51 -32.84 74.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.066 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.449 ' CZ ' HD13 ' A' ' 631' ' ' LEU . 89.2 t80 -66.36 -37.06 84.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.36 0.6 . . . . 0.0 110.516 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.95 -45.13 95.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.462 0.648 . . . . 0.0 109.378 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -79.55 -37.44 36.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 61.2 m-70 -125.98 140.32 52.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.527 ' ND2' ' HB2' ' A' ' 532' ' ' PHE . 0.8 OUTLIER -104.55 -5.3 21.64 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.47 25.14 11.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.41 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.4 OUTLIER -51.09 -57.45 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -61.09 -41.97 97.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . 0.546 ' HG3' HD13 ' A' ' 623' ' ' LEU . 1.7 mt-10 -63.82 -38.86 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.243 0.544 . . . . 0.0 109.935 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -66.58 -42.81 86.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.584 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.42 -22.41 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.14 25.92 4.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.457 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 626' ' ' TYR . 21.0 mm -66.87 137.57 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.82 135.74 54.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.907 0.384 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.592 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -63.46 -26.57 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.246 -179.051 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -14.26 62.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.172 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -124.92 -5.69 7.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 110.824 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.592 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.0 tp -54.07 -44.09 70.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.653 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -48.39 81.96 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -65.04 -37.78 88.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 0.0 110.725 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.609 ' HH ' ' CG ' ' A' ' 587' ' ' ASP . 19.9 m-85 -66.55 -49.42 66.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 5.7 m-85 -66.61 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.59 -50.76 70.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.346 0.593 . . . . 0.0 110.324 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . 0.704 ' HB2' ' HE1' ' A' ' 578' ' ' PHE . . . -67.21 -35.99 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.339 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.422 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.5 OUTLIER -62.39 -49.88 73.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.54 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.491 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 3.5 mm? -64.51 -44.73 89.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.896 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.8 m -59.57 -42.45 92.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.811 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -63.07 -40.92 99.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.029 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.92 -38.42 82.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.444 HH12 ' CD ' ' B' ' 541' ' ' GLU . 1.9 mmt85 -62.59 -45.72 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.598 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 567' ' ' SER . 5.3 mt -67.05 -47.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.499 0.666 . . . . 0.0 110.49 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -58.03 -39.05 77.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.451 -179.168 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.513 ' HB3' HG11 ' A' ' 546' ' ' VAL . 1.2 tp10 -72.54 -36.08 68.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.668 0.27 . . . . 0.0 110.552 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.549 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.14 -25.42 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.143 0.497 . . . . 0.0 111.6 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.84 -35.26 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.412 0.625 . . . . 0.0 110.136 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -5.59 39.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.83 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 1.8 tp -61.59 126.76 87.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.068 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.234 0.292 0 C-N-CA 122.808 2.338 . . . . 0.0 111.348 178.703 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 103.82 15.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.98 147.55 24.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.295 0.569 . . . . 0.0 111.584 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 4.7 mtp85 -103.45 125.78 50.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.725 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 113.85 21.83 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.332 0.587 . . . . 0.0 111.863 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 9.9 tp -107.17 134.72 49.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.422 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.414 HG21 HG22 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.49 121.83 33.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.343 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.47 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -120.26 131.78 55.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 -179.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.403 ' HB2' ' HG3' ' B' ' 541' ' ' GLU . 0.8 OUTLIER -78.32 155.26 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -32.98 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.4 -46.18 67.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . 0.444 ' CD ' HH12 ' A' ' 635' ' ' ARG . 0.0 OUTLIER -81.53 -27.67 34.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.047 0.451 . . . . 0.0 111.718 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.47 ' HA ' HD11 ' B' ' 537' ' ' LEU . 87.5 t80 -52.69 -47.82 66.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.778 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.602 HG21 ' HG ' ' B' ' 642' ' ' LEU . 2.0 p -61.2 -37.42 82.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.986 0.422 . . . . 0.0 111.424 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . 0.534 ' HE2' ' HZ ' ' A' ' 548' ' ' PHE . 7.7 tttt -64.97 -43.0 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.141 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.542 HG13 HG11 ' A' ' 545' ' ' VAL . 98.0 t -70.43 -43.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.392 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.513 ' HB ' HD21 ' B' ' 642' ' ' LEU . 50.1 t -59.93 -50.18 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.61 -37.35 87.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.14 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.471 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.6 t80 -59.39 -50.03 75.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.449 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.683 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.76 -30.6 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.34 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.39 -35.16 76.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.0 mmt85 -68.65 -39.05 80.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.3 -40.59 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.283 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.75 -21.55 61.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -14.95 60.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' B' ' 556' ' ' PRO . 47.3 t -115.04 132.25 23.11 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.45 ' HD2' HG13 ' B' ' 555' ' ' VAL . 23.4 Cg_endo -61.54 128.45 24.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.131 1.887 . . . . 0.0 112.628 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -117.69 -19.34 9.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.733 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . 0.575 ' HB2' HG13 ' B' ' 561' ' ' VAL . 48.5 m-85 -121.12 152.41 38.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.496 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -38.71 10.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -72.98 -34.8 66.67 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' B' ' 558' ' ' TYR . 5.4 p -114.28 102.09 54.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.765 ' HB2' HG12 ' B' ' 565' ' ' VAL . 24.1 Cg_exo -63.07 94.98 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.295 2.663 . . . . 0.0 112.532 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -24.9 61.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.426 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.21 -50.74 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.761 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.765 HG12 ' HB2' ' B' ' 562' ' ' PRO . 14.6 p -63.93 -29.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.271 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.495 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -69.01 -39.64 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.218 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.469 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.61 -14.12 60.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 179.226 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . 0.423 ' HD2' HG22 ' B' ' 565' ' ' VAL . 0.1 OUTLIER -82.53 -11.43 58.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.709 HG21 ' HB3' ' B' ' 577' ' ' ARG . 6.4 mt -87.54 141.33 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.781 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.5 OUTLIER -87.22 117.79 69.07 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.5 ' HD2' HD13 ' B' ' 570' ' ' LEU . 49.7 Cg_endo -69.59 25.05 0.17 Allowed 'Trans proline' 0 C--N 1.335 -0.158 0 C-N-CA 122.823 2.349 . . . . 0.0 112.279 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.55 ' H ' ' C ' ' B' ' 570' ' ' LEU . 73.1 p -108.65 -3.86 17.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.094 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' B' ' 570' ' ' LEU . 0.0 OUTLIER -98.99 -79.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -168.42 -134.95 1.8 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.459 ' O ' HD22 ' B' ' 579' ' ' LEU . 0.1 OUTLIER -128.51 -4.3 5.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.623 0.249 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -45.16 81.18 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.206 0.527 . . . . 0.0 111.186 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.709 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.4 -36.39 84.01 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.538 ' HE1' ' HB1' ' B' ' 629' ' ' ALA . 37.6 t80 -63.22 -44.48 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.216 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.459 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.2 OUTLIER -63.8 -40.23 96.15 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.1 m -66.83 -37.19 84.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' B' ' 565' ' ' VAL . . . -57.53 -36.75 71.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.943 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.501 HD11 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -98.45 4.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.623 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.54 43.78 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.387 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.713 ' HB3' ' OD2' ' B' ' 587' ' ' ASP . . . -99.71 -105.29 0.22 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 103.75 -46.51 1.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 115.373 0.909 . . . . 0.0 115.373 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -67.35 -20.1 65.53 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.014 0.911 . . . . 0.0 110.651 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.713 ' OD2' ' HB3' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -74.48 -26.29 59.92 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.815 -178.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 6.9 m -56.62 -25.97 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.635 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.6 OUTLIER -65.84 -34.02 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.001 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.635 ' N ' HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -70.14 -43.2 71.43 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.49 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.43 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.9 m-85 -66.64 -42.1 87.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.195 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.73 -40.39 87.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.14 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.91 96.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.147 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.488 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.4 t30 -81.29 -11.6 59.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.027 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.29 17.97 51.15 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.335 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.488 HG13 ' HB3' ' B' ' 594' ' ' ASN . 8.6 mt -95.06 99.58 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.44 10.84 0.87 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.95 172.0 10.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.29 144.75 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.107 0.48 . . . . 0.0 110.66 -179.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.74 -33.2 4.49 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.424 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.99 -49.21 78.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 111.32 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -38.4 89.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.575 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.5 mp -68.37 -41.2 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.131 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -64.06 -41.49 97.34 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.181 0.515 . . . . 0.0 109.694 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.519 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -66.52 -34.09 77.14 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.204 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.77 -37.74 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.3 0.571 . . . . 0.0 110.653 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 45.4 mt-10 -68.29 -38.56 81.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.497 0.665 . . . . 0.0 109.659 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . 0.467 ' HZ2' ' CD ' ' B' ' 605' ' ' GLU . 3.6 mtmt -76.46 -41.17 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.386 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -138.07 147.35 43.96 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.087 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -102.37 -3.02 27.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.59 0.709 . . . . 0.0 109.327 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.601 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 19.5 p-10 -115.3 33.96 5.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.519 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.8 OUTLIER -53.33 -54.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.846 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.1 m-85 -59.36 -39.54 83.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.757 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.13 -32.91 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.37 0.605 . . . . 0.0 109.605 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -36.79 76.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.497 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.4 pt -81.06 -20.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.88 27.8 4.45 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.772 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' B' ' 591' ' ' PHE . 17.1 mm -68.42 142.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.903 0.351 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.2 132.94 48.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.1 OUTLIER -65.29 -24.07 67.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.227 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.1 m -69.86 -14.76 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.331 . . . . 0.0 111.686 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' B' ' 626' ' ' TYR . 2.7 mtpt -123.72 -4.03 8.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 4.8 tp -54.06 -44.8 71.4 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.34 85.83 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.047 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -62.16 -37.13 84.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.16 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.559 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 24.2 m-85 -68.85 -50.61 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.552 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.601 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 10.2 m-85 -63.61 -33.3 75.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.075 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.38 -51.5 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.505 0.669 . . . . 0.0 109.325 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.538 ' HB1' ' HE1' ' B' ' 578' ' ' PHE . . . -69.13 -43.0 75.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.187 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.72 -49.31 73.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.456 0.702 . . . . 0.0 112.693 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.481 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.9 mm? -64.83 -44.46 89.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.828 0.347 . . . . 0.0 110.64 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 14.6 m -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.367 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' B' ' 571' ' ' PRO . 29.2 t80 -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.85 -40.78 89.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.683 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -61.31 -45.05 96.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.477 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' B' ' 567' ' ' SER . 22.5 mt -64.1 -44.85 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -59.44 -47.57 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.504 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 5.2 tp10 -63.35 -36.69 84.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.745 0.307 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.7 -24.95 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.335 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.83 67.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . 0.504 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.26 -6.02 42.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.611 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.602 ' HG ' HG21 ' B' ' 543' ' ' THR . 1.4 mp -72.65 131.07 84.73 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.412 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.43 ' HD2' HG21 ' B' ' 543' ' ' THR . 94.0 Cg_endo -94.11 -140.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.291 2.661 . . . . 0.0 110.935 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.41 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.826 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.481 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 1.7 t80 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.604 0.716 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.52 145.55 31.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.13 147.83 36.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.01 127.37 43.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.19 119.27 20.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.0 110.057 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 4.0 tp -112.16 139.87 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.31 122.54 34.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 545' ' ' VAL . 0.8 OUTLIER -114.72 141.47 47.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.725 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -73.44 157.42 36.9 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.502 HG22 ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -57.53 -48.15 80.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.61 -44.5 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.39 -30.0 64.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.972 0.415 . . . . 0.0 111.679 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 538' ' ' SER . 93.6 t80 -55.33 -50.42 69.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.892 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 1.018 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.82 -34.67 78.44 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.069 0.461 . . . . 0.0 111.147 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -66.01 -44.97 83.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.28 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.647 HG21 HD13 ' A' ' 537' ' ' LEU . 57.7 t -71.21 -42.33 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.095 0.474 . . . . 0.0 111.912 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.5 ' HB ' HD23 ' A' ' 642' ' ' LEU . 56.0 t -60.26 -49.89 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.964 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -67.63 -34.79 77.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.992 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 549' ' ' LEU . 0.8 OUTLIER -59.29 -48.7 80.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.945 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.502 HD21 ' CE2' ' A' ' 548' ' ' PHE . 24.5 mt -71.3 -30.47 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 0.0 111.279 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.55 77.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.219 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.3 mmt85 -68.82 -38.43 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.22 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.86 -40.52 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.231 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.2 58.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.032 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.93 -36.7 35.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 27.9 m -100.5 157.01 34.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.55 ' HB3' ' HG2' ' A' ' 564' ' ' GLN . 35.9 Cg_endo -68.62 127.77 16.04 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.827 1.684 . . . . 0.0 108.169 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 557' ' ' ARG . 9.7 ttm-85 -166.62 -26.65 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.839 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -97.89 142.09 30.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.099 0.476 . . . . 0.0 110.736 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -66.99 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.34 -26.18 62.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -113.41 110.62 50.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.262 0.553 . . . . 0.0 110.641 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.471 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 5.2 Cg_exo -75.37 75.03 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.481 2.787 . . . . 0.0 111.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -36.57 84.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.059 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.55 ' HG2' ' HB3' ' A' ' 556' ' ' PRO . 0.0 OUTLIER -55.24 -39.56 69.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 581' ' ' ALA . 9.5 p -85.48 -29.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.491 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.529 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.52 -39.62 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.036 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.45 ' HB3' HD11 ' A' ' 636' ' ' ILE . 0.9 OUTLIER -71.35 -16.11 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.539 . . . . 0.0 110.469 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -21.81 39.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.204 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.529 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -83.84 146.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.322 0.582 . . . . 0.0 111.295 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 573' ' ' GLU . 1.1 mm? -102.6 131.96 21.82 Favored Pre-proline 0 C--N 1.314 -0.977 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.612 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 13.5 Cg_endo -60.94 -8.26 9.37 Favored 'Trans proline' 0 C--N 1.335 -0.156 0 C-N-CA 122.17 1.913 . . . . 0.0 111.512 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.779 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 54.5 p -80.29 -14.16 58.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.12 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.3 OUTLIER -99.93 12.01 37.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.203 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 88.99 -157.64 27.37 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.495 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -116.94 -3.02 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 0.0 110.437 -179.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -44.76 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.599 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.477 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.67 -41.58 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.736 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -36.15 81.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.648 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 84.4 m -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.858 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.76 -44.06 81.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.362 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.493 HG13 ' HB1' ' A' ' 584' ' ' ALA . 5.5 pt -90.72 7.86 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptt 60.76 35.44 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.843 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' A' ' 582' ' ' ILE . . . -100.15 47.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.76 68.93 1.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.475 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 176.2 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.919 0.866 . . . . 0.0 109.047 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.534 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 1.1 m-20 -71.26 -21.85 62.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.97 -25.43 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.41 -33.89 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.556 ' N ' HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.54 -38.89 88.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.681 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.504 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 60.7 m-85 -68.26 -43.83 76.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.263 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.25 -41.11 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.53 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.452 ' HB2' HG21 ' A' ' 616' ' ' ILE . 3.5 t30 -82.77 -15.09 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.998 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.43 11.79 55.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.457 HG21 HD22 ' A' ' 575' ' ' LEU . 3.9 mt -90.1 109.37 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.747 0.308 . . . . 0.0 111.439 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -168.81 21.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.681 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 172.88 10.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.779 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -80.04 134.34 36.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.776 -179.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.87 -40.38 2.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -58.24 -44.44 88.28 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.998 0.519 . . . . 0.0 111.317 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.3 ttt -62.82 -47.07 85.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 0.9 OUTLIER -67.59 -41.18 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -35.16 77.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.545 ' HG3' HG21 ' A' ' 612' ' ' ILE . 7.2 tp10 -64.92 -35.66 81.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.627 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.507 ' HA ' HD13 ' A' ' 612' ' ' ILE . 81.2 t80 -69.01 -38.45 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 109.655 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 79.4 mt-10 -69.18 -46.87 66.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.81 49.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HD2' ' OE2' ' A' ' 605' ' ' GLU . 6.3 m-70 -111.13 -42.79 3.86 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 75.52 -47.34 0.59 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.992 0.517 . . . . 0.0 111.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -103.51 41.34 1.28 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 109.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.545 HG21 ' HG3' ' A' ' 605' ' ' GLU . 0.5 OUTLIER -54.39 -59.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.549 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.8 m-85 -56.74 -43.0 80.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.374 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -39.75 93.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.135 0.493 . . . . 0.0 110.984 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -70.52 -43.04 70.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.525 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.452 HG21 ' HB2' ' A' ' 594' ' ' ASN . 40.9 pt -68.67 -24.3 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.41 24.51 4.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 119.759 -1.21 . . . . 0.0 113.745 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 619' ' ' ASP . 13.2 mm -67.21 145.98 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.515 ' N ' HG23 ' A' ' 618' ' ' ILE . 15.4 t70 -65.92 128.31 35.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.79 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -71.12 -25.59 62.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.136 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -16.8 64.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.055 0.455 . . . . 0.0 111.545 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 626' ' ' TYR . 17.2 mtmt -126.81 8.85 6.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.79 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.7 tp -53.39 -41.62 66.1 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.517 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -44.35 97.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HE2' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -67.01 -38.45 85.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.504 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 39.4 m-85 -60.22 -52.86 63.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.25 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.25 -31.21 71.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.582 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.466 ' CD ' ' HH ' ' A' ' 530' ' ' TYR . 5.4 tp10 -64.0 -51.86 62.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.701 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.31 77.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.066 0.46 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -45.27 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.261 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.51 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -66.67 -40.84 88.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.619 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -43.26 88.07 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.144 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.612 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 1.8 t80 -60.64 -45.67 93.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.851 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -39.0 89.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.565 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.466 ' HD3' ' HA ' ' A' ' 635' ' ' ARG . 0.6 OUTLIER -66.24 -45.55 80.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.836 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 567' ' ' SER . 20.8 mt -64.13 -43.58 97.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.1 -46.32 85.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -35.92 81.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.9 -24.34 67.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.337 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 11.3 mtp -68.23 -33.05 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -93.44 -6.43 47.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.464 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 1.018 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -69.41 130.02 91.18 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.226 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.456 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 111.11 178.073 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.725 ' CE1' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.624 0 CA-C-O 121.458 0.646 . . . . 0.0 112.515 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 531' ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 539' ' ' THR . 61.5 m -114.75 122.77 47.42 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.21 128.39 35.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.295 0.569 . . . . 0.0 111.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 126.19 53.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.007 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 102.87 14.41 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.29 0.567 . . . . 0.0 110.716 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.84 149.74 22.53 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.607 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.06 121.87 33.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.764 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.412 HD11 HG22 ' B' ' 545' ' ' VAL . 1.8 mm? -112.69 129.88 56.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.611 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.51 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.1 OUTLIER -82.77 158.95 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -48.39 65.2 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.33 65.86 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.23 -29.52 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.15 0.5 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' B' ' 538' ' ' SER . 58.7 t80 -55.6 -51.75 66.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.618 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.687 HG21 ' HG ' ' B' ' 642' ' ' LEU . 1.1 p -67.26 -33.69 75.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.467 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -45.5 79.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.767 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.412 HG22 HD11 ' B' ' 537' ' ' LEU . 54.2 t -71.02 -42.99 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.434 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.833 HG12 ' HB3' ' B' ' 638' ' ' GLU . 43.5 t -59.11 -50.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.33 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.7 mm-40 -69.45 -33.82 73.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.253 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.468 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -59.51 -48.04 83.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.2 mt -72.1 -34.37 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.923 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' B' ' 547' ' ' GLU . . . -61.79 -32.88 73.19 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.669 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.5 mmt180 -60.39 -48.53 81.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -33.06 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.09 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.92 -17.94 58.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.186 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -98.4 -44.79 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.943 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . 0.427 HG13 ' HD2' ' B' ' 556' ' ' PRO . 3.1 t -96.94 127.74 37.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.672 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.608 ' HB3' ' HG2' ' B' ' 564' ' ' GLN . 11.1 Cg_endo -54.95 129.21 34.07 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.93 2.42 . . . . 0.0 111.957 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -149.6 -34.35 0.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.131 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.85 130.36 42.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.976 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -44.19 62.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.187 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.409 ' CH2' ' HG2' ' B' ' 628' ' ' GLU . 19.4 p-90 -74.03 -36.28 64.4 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 6.2 p -113.64 110.83 49.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.184 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 3.8 Cg_exo -80.36 85.28 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.392 2.728 . . . . 0.0 111.394 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 563' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' B' ' 553' ' ' ALA . 0.9 OUTLIER -72.21 -26.2 61.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.926 -179.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.608 ' HG2' ' HB3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -55.64 -47.16 77.1 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' B' ' 581' ' ' ALA . 14.1 p -71.04 -27.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.029 0.442 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.536 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -70.41 -36.97 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.505 ' HB3' HD11 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -74.3 -15.12 60.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.296 0.569 . . . . 0.0 110.154 179.397 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -16.69 50.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.649 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.665 HG23 ' HB3' ' B' ' 577' ' ' ARG . 15.1 mt -79.93 139.46 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.696 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.589 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.4 OUTLIER -89.63 118.09 68.71 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' B' ' 599' ' ' MET . 39.6 Cg_endo -67.56 20.63 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.24 0 C-N-CA 123.087 2.525 . . . . 0.0 112.108 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.697 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 53.2 p -108.16 -13.11 14.99 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.315 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -50.72 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.622 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.53 -146.45 14.25 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.238 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.43 HD21 HG23 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -116.04 -3.77 12.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.489 0.185 . . . . 0.0 111.051 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -44.4 87.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 111.466 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.665 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.33 81.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.998 0.427 . . . . 0.0 110.098 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.472 ' CE1' ' HB1' ' B' ' 629' ' ' ALA . 38.0 t80 -61.65 -47.3 86.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.77 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.479 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.1 OUTLIER -63.39 -42.29 98.79 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -61.84 -37.41 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.544 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -57.34 -36.86 71.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.078 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.513 HG13 ' HB2' ' B' ' 584' ' ' ALA . 0.5 OUTLIER -102.39 9.44 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.021 -179.181 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.8 mttt 61.24 41.65 13.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.406 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.553 ' HB1' ' OH ' ' B' ' 626' ' ' TYR . . . -96.15 46.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.205 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.43 62.66 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.179 -0.534 . . . . 0.0 112.326 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -176.0 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.512 0.673 . . . . 0.0 109.667 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -21.9 62.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.577 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.28 -25.63 59.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.458 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.536 HG12 HD21 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -61.37 -33.88 58.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.536 HD21 HG12 ' B' ' 589' ' ' VAL . 1.1 mm? -66.15 -38.49 88.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.628 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 81.9 m-85 -67.34 -44.34 79.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -61.02 -37.7 83.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.82 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.08 96.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.057 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.69 -13.81 58.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.059 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.08 14.61 41.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.256 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.43 HG23 HD21 ' B' ' 575' ' ' LEU . 5.8 mt -95.53 92.68 3.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.5 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 11.1 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 173.6 10.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.119 0.485 . . . . 0.0 111.945 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.697 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 5.7 ptm -80.28 149.84 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.078 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.76 -34.17 2.33 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -47.84 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.581 0.352 . . . . 0.0 111.725 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.81 96.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -40.82 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.092 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -62.76 -45.34 93.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.617 ' HB3' HG21 ' B' ' 612' ' ' ILE . 18.0 mm-40 -65.26 -34.64 78.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.361 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.489 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 68.8 t80 -64.91 -38.72 91.9 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.595 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -74.56 -46.2 40.42 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -21.19 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.7 m-70 -122.32 -50.39 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.769 -0.582 . . . . 0.0 112.569 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.31 -33.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.507 0.723 . . . . 0.0 111.639 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.405 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 6.7 t0 -102.78 39.73 1.49 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.467 0.651 . . . . 0.0 109.655 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.617 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -62.74 -58.51 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.204 -178.171 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.8 m-85 -57.29 -40.81 78.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' B' ' 623' ' ' LEU . 1.1 mm-40 -66.43 -36.96 84.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.17 0.509 . . . . 0.0 110.235 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -42.76 73.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.965 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 36.9 pt -70.88 -22.89 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.37 30.37 3.37 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.032 -1.08 . . . . 0.0 113.245 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' B' ' 626' ' ' TYR . 13.1 mm -66.64 145.56 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.95 129.05 38.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -38.61 84.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.9 m -70.5 -8.84 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.669 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.423 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.8 mtpt -122.79 -5.48 8.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.8 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.408 HD11 ' HG2' ' B' ' 614' ' ' GLU . 2.3 tp -55.31 -45.07 76.3 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.754 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' B' ' 628' ' ' GLU . 0.0 OUTLIER -60.03 -48.0 83.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.258 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.08 93.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.415 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.553 ' OH ' ' HB1' ' B' ' 584' ' ' ALA . 12.7 m-85 -65.98 -51.57 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 9.2 m-85 -64.86 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.301 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -60.14 -50.04 75.27 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' B' ' 578' ' ' PHE . . . -67.34 -35.89 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.99 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -49.43 77.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.388 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.83 -43.51 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.519 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 56.8 m -60.39 -46.46 89.9 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.967 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' B' ' 571' ' ' PRO . 12.0 t80 -60.47 -44.63 95.69 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.338 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -65.88 -44.83 84.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' B' ' 567' ' ' SER . 30.2 mt -59.42 -46.47 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 109.859 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -39.62 82.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.291 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.833 ' HB3' HG12 ' B' ' 546' ' ' VAL . 1.7 mt-10 -68.64 -41.01 79.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.623 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.773 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.38 -24.93 67.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.8 mtt -66.81 -33.62 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 109.56 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -5.69 45.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.803 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.773 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.0 OUTLIER -79.29 133.64 60.1 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.905 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 11.7 Cg_exo -70.81 -63.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.374 2.049 . . . . 0.0 110.081 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' B' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.237 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.434 ' HE1' ' HB1' ' B' ' 540' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.008 0.432 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.51 147.91 45.57 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.845 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.737 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 1.6 m-85 -93.26 140.86 29.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 0.0 111.195 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -121.81 126.33 48.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.78 116.84 27.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -111.55 149.96 30.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.683 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.92 121.89 33.14 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -109.85 141.85 41.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.71 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -74.02 157.91 35.28 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.928 178.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.51 71.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.69 -40.76 76.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.442 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.16 -26.38 61.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 538' ' ' SER . 75.7 t80 -52.53 -49.82 64.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.377 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.624 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.7 p -66.27 -33.96 76.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.731 0.301 . . . . 0.0 111.299 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.99 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.62 -43.19 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.0 111.645 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.634 HG13 ' HB3' ' A' ' 638' ' ' GLU . 56.0 t -60.29 -50.5 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.914 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.682 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.79 -34.16 77.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.173 -178.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.49 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.2 t80 -59.09 -50.61 73.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.984 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.4 mt -71.57 -28.31 63.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.1 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.83 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 20.7 mmt85 -64.1 -47.32 80.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.13 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -67.93 -31.61 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.665 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.545 ' HA ' HG21 ' A' ' 563' ' ' THR . . . -71.62 -33.74 69.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.419 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -82.73 -50.32 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 5.4 t -101.98 110.58 62.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.685 ' HG3' ' HB2' ' A' ' 564' ' ' GLN . 99.4 Cg_exo -34.02 126.43 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.121 3.214 . . . . 0.0 114.345 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' A' ' 552' ' ' GLU . 4.2 ttt180 -169.22 28.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.752 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -106.75 162.11 14.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.2 p -45.88 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.072 0.858 . . . . 0.0 113.149 -178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -144.3 51.89 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 0.0 110.543 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.462 HG21 ' HB1' ' A' ' 629' ' ' ALA . 2.0 p -143.66 124.17 7.84 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.429 ' HB2' HG12 ' A' ' 565' ' ' VAL . 19.0 Cg_endo -60.73 94.76 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.139 2.559 . . . . 0.0 111.937 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.545 HG21 ' HA ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -83.42 -32.12 26.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.352 -178.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.685 ' HB2' ' HG3' ' A' ' 556' ' ' PRO . 1.5 tm0? -56.41 -45.09 80.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.199 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.9 p -73.59 -31.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.557 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.515 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.18 -39.92 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.366 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.14 -18.88 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.393 0.616 . . . . 0.0 109.897 179.076 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -86.09 -14.23 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.226 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 565' ' ' VAL . 68.8 mt -73.76 136.13 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.561 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -84.87 115.88 62.85 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.261 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.597 ' O ' ' HB2' ' A' ' 599' ' ' MET . 40.1 Cg_endo -67.76 22.36 0.12 Allowed 'Trans proline' 0 C--N 1.334 -0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' A' ' 570' ' ' LEU . 60.1 p -109.93 -16.79 13.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.371 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.496 ' OE2' ' HB2' ' A' ' 577' ' ' ARG . 0.3 OUTLIER -85.46 -43.31 13.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.67 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 145.32 -133.94 5.3 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.482 HD23 HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -123.47 4.04 9.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.828 0.347 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -46.01 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.079 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.508 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.45 -37.23 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.661 0.267 . . . . 0.0 110.816 179.211 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.26 77.81 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.128 0.49 . . . . 0.0 110.126 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 85.8 m -70.49 -43.39 69.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.619 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.501 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -55.03 -45.22 75.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.121 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.498 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -86.93 1.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.938 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 40.39 30.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.668 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.495 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -58.98 -69.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.157 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 126.39 -127.41 6.04 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.635 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 26.58 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.579 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 1.8 m-20 -70.56 -24.04 62.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 110.09 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.45 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -57.71 -25.29 60.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -34.15 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -38.92 81.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.45 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 93.7 m-85 -67.33 -39.47 85.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.288 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.8 t-20 -62.35 -41.87 98.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.046 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.3 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.338 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.469 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.6 t30 -81.88 -11.44 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.382 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 87.31 23.75 39.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.293 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.482 HG22 HD23 ' A' ' 575' ' ' LEU . 17.7 mt -83.73 -102.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . 0.426 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 37.5 p90 49.26 0.56 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.1 OUTLIER -116.38 171.67 7.69 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.719 -0.613 . . . . 0.0 111.813 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.597 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -80.46 149.64 30.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.681 179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.35 -41.0 2.01 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.479 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.408 ' CG ' HH21 ' A' ' 604' ' ' ARG . 2.5 t70 -57.28 -43.96 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.5 ttp -61.49 -46.67 89.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.99 -40.23 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . 0.45 ' NH2' ' HG2' ' A' ' 605' ' ' GLU . 6.4 ttp85 -60.76 -47.14 87.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.217 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.45 ' HG2' ' NH2' ' A' ' 604' ' ' ARG . 9.2 mm-40 -62.01 -36.46 81.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.491 ' HA ' HD13 ' A' ' 612' ' ' ILE . 59.7 t80 -62.47 -45.08 94.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.641 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.45 -36.84 81.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -76.22 -25.24 54.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.152 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.2 -128.91 0.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 176.46 -35.46 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -106.26 41.26 1.45 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.838 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 606' ' ' PHE . 1.1 mp -52.65 -56.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.46 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.6 m-85 -59.17 -39.62 83.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.26 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -38.29 88.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.227 0.537 . . . . 0.0 110.508 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -42.16 76.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.08 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.404 HG12 ' HA ' ' A' ' 613' ' ' PHE . 38.0 pt -70.76 -22.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.66 28.72 3.61 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.113 -1.042 . . . . 0.0 113.32 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.545 HG23 HD12 ' A' ' 623' ' ' LEU . 17.8 mm -71.83 141.66 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.526 ' N ' HG21 ' A' ' 618' ' ' ILE . 8.2 t0 -65.6 134.55 53.53 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.739 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.744 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -68.07 -28.25 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -17.15 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.132 0.491 . . . . 0.0 111.035 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.468 ' HE2' ' HB3' ' A' ' 619' ' ' ASP . 35.0 mtmt -117.62 -3.94 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.756 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.744 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.3 tp -54.75 -44.44 73.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.793 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -48.23 82.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -61.15 -38.12 85.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.579 ' HH ' ' CG ' ' A' ' 587' ' ' ASP . 23.7 m-85 -69.43 -51.09 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.737 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 8.4 m-85 -65.66 -31.9 73.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.695 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -49.97 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 561' ' ' VAL . . . -66.67 -34.42 77.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.699 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -43.69 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.546 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.579 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -61.74 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.223 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 553' ' ' ALA . 0.2 OUTLIER -62.88 -46.87 85.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.757 -179.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.99 89.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.618 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -62.09 -39.77 93.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.091 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -66.13 -40.36 90.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' A' ' 640' ' ' MET . 44.8 mt -61.45 -48.73 87.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.01 -42.81 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.844 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.634 ' HB3' HG13 ' A' ' 546' ' ' VAL . 0.8 OUTLIER -62.51 -42.93 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.098 178.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.509 ' HA ' HD21 ' A' ' 642' ' ' LEU . . . -66.2 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.057 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 22.5 mtt -69.29 -31.35 69.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.459 0.647 . . . . 0.0 109.333 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -92.81 -6.35 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.703 -179.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.624 ' HG ' HG22 ' A' ' 543' ' ' THR . 0.6 OUTLIER -61.64 142.92 94.18 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.436 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 CA--C 1.529 0.23 0 C-N-CA 122.969 2.446 . . . . 0.0 112.723 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.692 ' CD1' ' HA ' ' B' ' 624' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 124.14 46.96 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -87.67 129.22 35.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.208 0.527 . . . . 0.0 111.7 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -125.55 134.36 52.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.832 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 119.18 24.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.147 0.499 . . . . 0.0 110.711 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . 0.415 HD22 ' HG ' ' A' ' 537' ' ' LEU . 10.6 tp -100.67 138.21 38.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.753 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.34 120.99 33.4 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -122.49 142.36 50.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.963 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.579 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -80.99 156.99 25.66 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -46.92 86.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . 0.434 ' HB1' ' HE1' ' A' ' 530' ' ' TYR . . . -70.34 -44.33 68.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -70.78 -28.06 64.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.179 0.514 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' B' ' 538' ' ' SER . 85.5 t80 -54.24 -50.16 67.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.196 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.4 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 40.7 p -61.44 -35.24 77.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -66.05 -44.89 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.84 -41.55 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' B' ' 638' ' ' GLU . 41.3 t -60.18 -50.77 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.792 ' HG3' ' HE3' ' B' ' 644' ' ' LYS . 0.0 OUTLIER -67.35 -31.36 71.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.974 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -58.37 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.651 ' HA ' ' HG3' ' B' ' 552' ' ' GLU . 17.4 mt -72.59 -29.48 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.319 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.16 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 15.5 mmt85 -65.58 -40.74 93.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.037 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.651 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.1 OUTLIER -68.02 -32.24 72.47 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.456 0.646 . . . . 0.0 109.605 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.831 ' HA ' HG22 ' B' ' 563' ' ' THR . . . -75.84 -35.11 60.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.901 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -73.32 -57.08 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 15.6 t -104.79 118.42 56.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.782 ' HD3' ' HB2' ' B' ' 564' ' ' GLN . 2.2 Cg_endo -43.98 126.61 6.2 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.679 2.919 . . . . 0.0 113.986 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 24.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.455 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . 0.576 ' HE1' ' HB2' ' B' ' 552' ' ' GLU . 5.7 m-85 -106.71 160.29 15.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.649 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' THR . . . . . 0.525 ' HB ' ' H ' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -75.32 -109.07 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.525 ' H ' ' HB ' ' B' ' 559' ' ' THR . 0.7 OUTLIER -83.84 46.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.64 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.559 HG12 ' HB3' ' B' ' 558' ' ' TYR . 2.2 p -158.21 125.15 2.59 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.865 0.364 . . . . 0.0 110.997 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.492 ' HG2' ' O ' ' B' ' 581' ' ' ALA . 27.1 Cg_exo -63.95 147.81 91.83 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.02 2.48 . . . . 0.0 111.551 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 563' ' ' THR . . . . . 0.831 HG22 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -135.02 -43.3 0.73 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.777 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.782 ' HB2' ' HD3' ' B' ' 556' ' ' PRO . 19.7 tt0 -58.61 -43.49 89.6 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.508 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.4 p -66.92 -29.84 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.051 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.514 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.83 -40.23 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -16.64 62.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.527 0.679 . . . . 0.0 109.926 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.91 -17.14 41.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.308 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 11.2 mt -79.79 137.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.4 OUTLIER -83.54 121.32 76.44 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' B' ' 599' ' ' MET . 23.1 Cg_endo -65.11 9.83 0.16 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.496 2.13 . . . . 0.0 112.161 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.692 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 28.5 p -108.35 -6.07 16.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.02 -62.43 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.289 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 165.15 -155.42 26.79 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' B' ' 602' ' ' MET . 0.1 OUTLIER -116.73 -6.94 11.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.911 0.356 . . . . 0.0 110.556 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -40.55 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.42 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.26 -37.18 86.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.276 0.56 . . . . 0.0 109.584 178.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' B' ' 575' ' ' LEU . 61.9 t80 -63.5 -45.27 91.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.666 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.419 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.2 OUTLIER -64.37 -42.43 96.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.868 178.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 44.7 m -61.41 -39.18 89.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.034 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -58.72 -45.69 89.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.633 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.5 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.5 pt -86.77 6.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.829 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.34 37.54 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.5 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -66.25 -67.6 0.43 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.48 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 94.27 -98.43 2.32 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.817 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . 0.403 ' O ' HG11 ' B' ' 589' ' ' VAL . 1.8 p80 -82.85 4.59 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.8 -24.77 62.63 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.228 -0.295 . . . . 0.0 111.461 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.413 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.53 -26.56 65.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 0.0 110.774 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.456 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.9 OUTLIER -60.98 -33.66 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.363 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.456 ' N ' HG12 ' B' ' 589' ' ' VAL . 1.0 OUTLIER -66.71 -37.95 85.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.252 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 87.7 m-85 -68.24 -42.32 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.017 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -58.81 -43.56 90.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.923 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.29 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.695 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.465 ' HB2' HG22 ' B' ' 616' ' ' ILE . 52.1 t30 -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.12 15.84 46.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.502 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.476 HG21 HD21 ' B' ' 575' ' ' LEU . 9.8 mt -83.15 -101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . 0.403 ' H ' ' HB ' ' B' ' 596' ' ' ILE . 17.8 p90 51.79 -3.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 598' ' ' THR . . . . . 0.448 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.21 171.24 7.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.24 0.543 . . . . 0.0 111.878 -179.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.692 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -80.86 145.39 31.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.488 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.3 -37.63 2.41 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.454 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.481 ' HB3' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.88 -40.86 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.221 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.43 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.4 mt -68.42 -42.91 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.537 ' NH2' ' HG2' ' B' ' 605' ' ' GLU . 4.5 ttp85 -61.53 -40.25 93.98 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.956 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.676 ' HB3' HG21 ' B' ' 612' ' ' ILE . 7.1 mm-40 -63.46 -38.55 91.56 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.146 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.485 ' HA ' HD12 ' B' ' 612' ' ' ILE . 79.3 t80 -67.26 -37.49 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.101 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.8 -43.73 78.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -77.04 -41.34 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.547 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 5.4 m-70 -105.87 -132.98 0.32 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.974 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . 0.547 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 0.4 OUTLIER 168.0 -33.84 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -98.49 27.27 4.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.338 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.676 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -51.17 -61.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.407 -178.714 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.07 -39.64 79.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.422 . . . . 0.0 111.097 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.41 94.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.241 0.544 . . . . 0.0 110.772 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -40.9 73.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.016 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.3 pt -68.05 -25.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.29 27.99 3.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.608 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.404 HG21 ' N ' ' B' ' 619' ' ' ASP . 19.2 mm -66.05 147.34 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.498 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 14.0 t70 -62.83 121.01 12.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.948 0.404 . . . . 0.0 110.421 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.42 69.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -10.55 59.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.021 0.439 . . . . 0.0 111.338 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.556 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 34.6 mtpt -117.68 -4.96 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.675 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.69 -43.73 69.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.418 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.692 ' HA ' ' CD1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.701 -178.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.497 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -63.4 -37.01 85.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.556 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 2.1 m-30 -67.34 -50.95 57.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.37 -32.7 74.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.2 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -50.56 73.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.06 80.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.568 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -45.07 90.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.31 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.504 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.2 mm? -66.77 -39.65 87.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.353 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.479 ' O ' HG13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -63.87 -45.67 88.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.658 0.266 . . . . 0.0 110.342 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.88 97.98 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.977 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.86 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -66.02 -43.71 86.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 632' ' ' SER . 48.6 mt -59.64 -49.08 85.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.583 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.248 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.578 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.1 tt0 -67.58 -41.21 84.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.291 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' B' ' 642' ' ' LEU . . . -64.46 -31.81 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.357 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 4.3 mtm -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.509 0.671 . . . . 0.0 109.543 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -5.08 41.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.314 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.514 HD23 ' HB ' ' B' ' 546' ' ' VAL . 0.5 OUTLIER -65.26 130.68 94.83 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.044 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.3 111.0 2.15 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.576 2.184 . . . . 0.0 111.755 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.792 ' HE3' ' HG3' ' B' ' 547' ' ' GLU . 1.2 mttm . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.493 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.648 ' CD1' ' HB2' ' B' ' 538' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.702 0.763 . . . . 0.0 111.536 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.44 138.88 58.68 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.143 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 26.8 m-85 -104.49 131.75 51.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.178 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 126.58 37.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' THR . . . . . 0.842 HG22 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -86.2 103.94 15.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.91 150.36 22.89 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.924 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.68 119.73 31.16 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.378 0.609 . . . . 0.0 109.873 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -120.4 134.03 55.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.915 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 156.92 38.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -39.91 79.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.8 69.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.53 -29.45 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 111.225 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.517 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.8 t80 -55.36 -46.81 76.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.319 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.72 HG21 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -64.12 -33.96 76.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.323 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -65.67 -42.41 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.31 -43.22 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 0.0 111.224 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 638' ' ' GLU . 44.5 t -60.77 -49.57 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -65.86 -32.38 73.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.055 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.561 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.7 t80 -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.3 mt -71.17 -27.2 63.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.422 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 41.3 mmt-85 -62.96 -48.59 78.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.275 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.52 -39.37 90.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.05 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.16 -19.33 56.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.265 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.435 ' HE2' HG21 ' A' ' 636' ' ' ILE . 6.4 mttt -87.03 -29.19 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.605 0.24 . . . . 0.0 111.532 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.97 153.12 49.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 111.563 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.61 127.0 11.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 N-CA-C 108.432 -1.411 . . . . 0.0 108.432 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.83 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.013 0.435 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.47 123.33 37.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -23.9 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.46 0.648 . . . . 0.0 109.277 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -72.23 -42.82 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.449 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 628' ' ' GLU . 1.3 p -122.87 113.1 30.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.066 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 17.3 Cg_exo -66.84 81.17 0.34 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.117 2.544 . . . . 0.0 113.318 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -25.81 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.983 0.42 . . . . 0.0 110.846 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.427 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -60.75 -46.84 88.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.063 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' A' ' 581' ' ' ALA . 12.8 p -75.16 -21.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.278 0.561 . . . . 0.0 110.191 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.506 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -68.44 -37.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.634 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.428 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.2 OUTLIER -73.72 -14.29 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.685 0.755 . . . . 0.0 110.157 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -82.07 -5.77 58.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.736 HG22 ' HB3' ' A' ' 577' ' ' ARG . 2.2 mt -98.83 145.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 111.535 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.566 HD11 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -104.63 123.2 41.01 Favored Pre-proline 0 N--CA 1.441 -0.923 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.694 ' O ' ' HB2' ' A' ' 599' ' ' MET . 22.9 Cg_endo -60.76 -6.42 5.87 Favored 'Trans proline' 0 C--O 1.226 -0.12 0 C-N-CA 122.696 2.264 . . . . 0.0 112.058 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 570' ' ' LEU . 73.0 p -80.53 -16.45 54.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.812 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -15.3 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 119.16 -164.17 13.24 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.144 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.456 HD22 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -110.33 -1.73 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -44.5 73.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.736 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.21 -36.43 79.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -59.9 -42.84 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -41.16 87.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 49.9 m -62.62 -39.51 94.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 110.494 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.448 ' HB3' HG13 ' A' ' 565' ' ' VAL . . . -56.0 -40.73 73.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.606 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 10.1 pt -95.45 7.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.43 42.18 18.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.244 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.51 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -81.81 -74.79 0.32 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.74 -64.67 2.96 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.204 -0.522 . . . . 0.0 114.234 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -75.71 -19.72 58.89 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.516 -0.403 . . . . 0.0 111.969 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.82 -25.34 60.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.703 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.463 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -59.85 -26.17 65.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 110.979 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.593 HG13 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.37 -33.44 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.593 HD22 HG13 ' A' ' 589' ' ' VAL . 1.1 mm? -66.75 -36.97 83.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.579 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.463 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 90.9 m-85 -68.33 -38.3 81.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.395 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.6 t-20 -62.24 -41.34 98.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.597 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.42 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.189 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.578 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.0 t30 -81.74 -10.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.068 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.53 27.77 46.22 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.253 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.578 HG13 ' HB3' ' A' ' 594' ' ' ASN . 22.3 mt -85.19 -106.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.771 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . 0.4 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.9 p90 47.74 10.44 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 172.05 11.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.169 0.509 . . . . 0.0 112.361 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.694 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.52 142.77 32.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.794 -179.686 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.86 -47.64 3.58 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.237 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -46.45 88.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.777 0.322 . . . . 0.0 111.377 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -44.03 94.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.85 -40.81 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.555 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -62.61 -44.33 96.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.177 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' A' ' 612' ' ' ILE . 1.9 mm-40 -63.33 -36.12 82.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.187 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.459 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 50.6 t80 -67.09 -38.72 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.34 -39.05 78.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -76.22 -32.18 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.196 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.512 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 9.1 m-70 -116.48 -139.73 0.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.006 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.512 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.2 p30 176.63 -22.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.239 -1.346 . . . . 0.0 107.463 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.521 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 24.9 p-10 -111.44 33.84 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.808 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.682 HG22 ' HB3' ' A' ' 605' ' ' GLU . 0.7 OUTLIER -57.55 -54.3 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.347 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.84 -39.39 84.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -37.63 85.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.406 0.622 . . . . 0.0 110.052 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.43 78.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.148 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.438 HD13 HD12 ' A' ' 618' ' ' ILE . 47.1 pt -69.45 -25.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.499 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.454 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 113.73 29.8 2.77 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.831 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.576 HG21 ' N ' ' A' ' 619' ' ' ASP . 22.5 mm -65.91 146.1 13.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.576 ' N ' HG21 ' A' ' 618' ' ' ILE . 10.6 t70 -64.25 130.52 44.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.65 72.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.716 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -12.8 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 0.0 111.411 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.665 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 13.6 mtpt -119.93 -9.38 9.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.51 -45.56 69.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -45.18 92.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.339 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.606 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 1.4 tttt -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.665 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.6 m-30 -68.66 -41.7 78.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.964 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.521 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 7.3 m-85 -65.64 -33.62 76.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.453 ' HB3' HG22 ' A' ' 561' ' ' VAL . 0.1 OUTLIER -62.0 -49.44 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.067 0.46 . . . . 0.0 110.176 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.95 78.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -48.32 80.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.668 ' HG ' ' HG ' ' B' ' 538' ' ' SER . 3.2 mm? -61.52 -45.49 94.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.851 0.358 . . . . 0.0 111.827 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 5.5 m -67.55 -36.04 80.21 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -61.75 -41.34 97.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.93 -38.45 82.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.092 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.718 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -67.78 -45.29 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.442 HD11 ' HB1' ' A' ' 553' ' ' ALA . 55.1 mt -60.89 -45.91 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.97 0.414 . . . . 0.0 110.184 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -58.98 -42.65 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.572 ' HB3' HG11 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -69.97 -36.18 75.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.9 -27.4 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' MET . . . . . 0.467 ' HE3' HD23 ' A' ' 570' ' ' LEU . 2.7 mtt -67.73 -33.12 74.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.555 0.693 . . . . 0.0 109.53 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -5.99 45.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.72 ' HG ' HG21 ' A' ' 543' ' ' THR . 1.1 tp -70.57 128.25 91.24 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.377 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.547 2.165 . . . . 0.0 111.199 178.76 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.447 -0.603 0 CA-C-O 121.173 0.511 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.98 134.24 56.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.396 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.58 136.18 33.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.936 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.15 132.63 51.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.19 101.39 13.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.125 0.488 . . . . 0.0 110.602 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.1 tp -93.08 137.2 32.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.231 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.842 HG21 HG22 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.19 121.66 33.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.559 0.695 . . . . 0.0 111.026 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.606 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 1.3 mm? -119.64 120.91 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.781 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.668 ' HG ' ' HG ' ' A' ' 631' ' ' LEU . 9.6 p -81.4 155.94 25.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -30.36 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.78 -48.21 60.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.19 -29.61 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.606 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 69.9 t80 -54.4 -52.4 61.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.513 ' HA ' HD22 ' B' ' 642' ' ' LEU . 15.1 p -61.39 -35.57 77.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -67.34 -44.86 78.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.494 HG22 HD13 ' B' ' 537' ' ' LEU . 30.6 t -71.92 -43.6 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.908 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' B' ' 642' ' ' LEU . 53.5 t -59.35 -50.99 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.264 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.1 mm-40 -68.77 -33.43 73.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.385 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 3.2 t80 -61.1 -50.8 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.631 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.53 -26.92 62.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.11 80.05 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 24.5 mmt85 -63.39 -48.15 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.378 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.9 ' HA ' HH12 ' B' ' 557' ' ' ARG . 4.0 mm-40 -66.08 -33.15 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.415 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.38 -23.21 50.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.586 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' B' ' 636' ' ' ILE . 16.1 mttt -86.41 -54.04 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.85 124.23 90.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.837 ' HD3' ' HG3' ' B' ' 564' ' ' GLN . 18.3 Cg_endo -59.13 125.49 18.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.058 1.838 . . . . 0.0 112.013 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . 0.9 HH12 ' HA ' ' B' ' 552' ' ' GLU . 0.0 OUTLIER -150.72 13.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.47 124.56 21.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.134 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -24.14 15.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.556 . . . . 0.0 109.545 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' B' ' 625' ' ' LYS . 29.6 t90 -69.14 -42.91 75.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.039 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -129.36 117.51 18.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.95 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.09 95.74 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.959 2.439 . . . . 0.0 111.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -37.28 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.452 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.837 ' HG3' ' HD3' ' B' ' 556' ' ' PRO . 2.9 tm0? -58.57 -43.34 89.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.957 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.608 ' O ' HG13 ' B' ' 569' ' ' ILE . 13.1 p -69.14 -31.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.3 t -69.12 -41.28 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.436 ' HB3' ' CD1' ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.13 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.519 0.676 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.78 -18.7 43.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.712 HG12 ' HD2' ' B' ' 577' ' ' ARG . 13.3 mt -82.61 144.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.198 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -97.61 123.27 52.68 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.192 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.462 ' O ' ' HB2' ' B' ' 599' ' ' MET . 29.4 Cg_endo -65.98 13.29 0.12 Allowed 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.96 2.44 . . . . 0.0 112.146 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.573 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.7 p -107.91 -8.48 15.94 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.259 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 3.5 mt-10 -92.35 -49.78 5.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.544 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.67 175.71 27.0 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.758 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 602' ' ' MET . 0.2 OUTLIER -92.61 -12.72 30.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 0.0 110.7 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . 0.504 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -56.5 -43.28 79.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.322 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.712 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.22 -37.43 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.079 178.272 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.542 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 20.7 t80 -65.35 -45.75 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -42.82 97.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.204 0.526 . . . . 0.0 109.772 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 74.4 m -65.95 -40.37 91.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.889 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.427 ' HB3' HG13 ' B' ' 565' ' ' VAL . . . -55.99 -40.96 74.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.718 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.541 HD13 ' HD1' ' B' ' 626' ' ' TYR . 0.6 OUTLIER -92.44 1.9 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.248 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 22.7 mttt 59.59 41.62 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.065 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.416 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -65.36 -70.31 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 117.02 -124.58 6.2 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.288 -0.958 . . . . 0.0 114.241 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -72.46 8.27 1.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -69.62 -24.84 63.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -26.17 63.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.903 0.382 . . . . 0.0 110.548 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.407 HG13 HD21 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -61.43 -34.03 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.298 179.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.407 HD21 HG13 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -67.62 -38.8 84.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.29 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.414 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 90.8 m-85 -67.56 -38.74 84.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.775 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -61.49 -38.34 86.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.01 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.489 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.59 ' HB3' HG13 ' B' ' 596' ' ' ILE . 18.8 t30 -79.65 -8.51 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.355 0.598 . . . . 0.0 110.82 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 85.32 18.94 59.66 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.986 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.59 HG13 ' HB3' ' B' ' 594' ' ' ASN . 9.5 mt -79.72 -106.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 23.8 p90 51.62 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 598' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.58 172.99 6.56 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.33 0.586 . . . . 0.0 112.552 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.119 -178.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.51 -39.15 2.12 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.517 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.28 -36.44 73.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.534 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -63.68 -45.0 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.534 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.0 OUTLIER -69.23 -40.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 109.808 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -63.07 -46.43 87.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.486 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.702 ' HB3' HG21 ' B' ' 612' ' ' ILE . 19.8 mm-40 -64.84 -33.86 76.99 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.481 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 74.6 t80 -65.62 -38.77 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.425 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.41 -45.31 76.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.712 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -77.54 -37.25 51.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.344 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.8 m-70 -102.14 -64.34 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.55 -29.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.125 0.89 . . . . 0.0 109.175 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' B' ' 609' ' ' HIS . 53.2 p-10 -105.34 27.14 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.652 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.702 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.2 OUTLIER -54.64 -57.57 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.911 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -38.55 84.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.137 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -43.15 72.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.609 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' B' ' 594' ' ' ASN . 37.6 pt -70.39 -21.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.71 28.3 4.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.58 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.507 HG21 ' CD2' ' B' ' 626' ' ' TYR . 15.1 mm -66.81 145.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.31 138.69 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.688 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.93 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.429 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -9.12 17.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.581 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.9 mtpt -119.08 -11.99 9.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.348 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.74 -45.01 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.765 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -41.7 90.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.534 ' HB2' ' CZ3' ' B' ' 560' ' ' TRP . 0.3 OUTLIER -65.4 -40.43 93.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.72 -179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.581 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 25.1 m-85 -66.29 -48.46 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.961 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -64.17 -31.8 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.098 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -62.88 -51.47 66.88 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.542 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -67.59 -36.87 81.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.225 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . 0.459 ' HB2' ' O ' ' B' ' 626' ' ' TYR . 0.1 OUTLIER -59.21 -49.38 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.899 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.56 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.119 0.485 . . . . 0.0 110.043 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 15.5 m -61.27 -46.8 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.511 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.521 ' HA ' HD11 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -64.17 -40.5 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.077 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -59.73 -38.92 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.937 0.398 . . . . 0.0 110.324 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.631 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -67.9 -43.41 79.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.395 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' B' ' 633' ' ' PHE . 19.8 mt -62.58 -48.06 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 110.493 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.98 -41.83 88.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.348 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.48 ' HB3' HG11 ' B' ' 546' ' ' VAL . 0.8 OUTLIER -67.51 -39.6 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.43 -25.94 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.313 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.4 mmm -67.57 -34.8 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.557 0.694 . . . . 0.0 109.993 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -5.92 43.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.187 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 4.9 tp -73.84 119.65 77.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.657 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.81 -105.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.721 2.281 . . . . 0.0 111.378 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.345 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.459 ' HE2' ' CB ' ' B' ' 538' ' ' SER . 1.3 t80 . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 121.151 0.5 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.36 142.26 46.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.152 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.63 157.03 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -145.92 126.6 14.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.937 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.04 106.09 18.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.07 0.462 . . . . 0.0 110.722 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 26.4 tp -92.48 147.55 22.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.721 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.6 121.76 33.56 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.892 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -111.02 144.49 40.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.406 -178.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.729 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -71.28 156.89 39.0 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.864 178.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.49 HG23 ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -67.77 -52.56 35.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.47 84.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.196 0.522 . . . . 0.0 112.17 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.404 ' CD ' HH22 ' B' ' 635' ' ' ARG . 9.5 mt-10 -79.37 -25.96 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 538' ' ' SER . 71.0 t80 -53.4 -45.97 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.72 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.807 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -65.42 -34.53 78.51 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.862 0.363 . . . . 0.0 111.539 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -66.91 -42.83 84.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.31 -42.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.341 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 642' ' ' LEU . 44.8 t -60.68 -49.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.753 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -63.9 -35.5 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.077 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.562 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -61.22 -51.22 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.9 mt -68.25 -29.65 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.63 74.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.032 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 22.8 mmt85 -64.53 -49.25 72.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.397 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.0 -32.92 73.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.43 -19.41 56.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.021 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.36 -53.05 4.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.866 0.365 . . . . 0.0 111.155 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 1.7 m -80.83 160.69 65.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.228 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 18.8 Cg_endo -64.28 125.87 15.95 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 N-CA-C 109.146 -1.136 . . . . 0.0 109.146 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.04 -41.72 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.03 0.443 . . . . 0.0 110.469 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . 0.436 ' HB3' HG13 ' A' ' 561' ' ' VAL . 9.4 m-85 -88.87 122.47 32.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -19.78 21.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.867 0.365 . . . . 0.0 111.78 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -89.56 -49.73 6.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.927 0.394 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.0 p -104.76 129.81 24.28 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 7.8 Cg_exo -73.45 89.45 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.055 2.503 . . . . 0.0 112.15 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 5.6 p -84.13 -36.25 23.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -56.18 -48.43 76.36 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 581' ' ' ALA . 13.3 p -68.16 -28.54 41.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.448 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -70.49 -39.63 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.197 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.437 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.15 -14.7 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . 0.406 ' HD2' HG21 ' A' ' 565' ' ' VAL . 0.1 OUTLIER -80.46 -15.21 57.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.983 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.637 HG12 ' HD2' ' A' ' 577' ' ' ARG . 5.3 mt -86.23 140.84 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.6 OUTLIER -88.7 123.82 67.02 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.449 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 33.9 Cg_endo -67.79 15.62 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.563 ' H ' ' C ' ' A' ' 570' ' ' LEU . 48.2 p -107.64 -10.56 15.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.15 -122.62 0.08 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.71 16.02 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.766 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.446 HD22 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -92.56 -7.9 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.764 0.316 . . . . 0.0 110.29 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -37.09 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.637 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.92 -38.4 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.15 0.5 . . . . 0.0 110.347 178.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.08 -45.27 89.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.844 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.75 76.37 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.701 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 47.7 m -64.46 -41.24 96.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.822 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.427 ' HB2' HG12 ' A' ' 565' ' ' VAL . . . -58.18 -39.91 80.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.778 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.538 HG13 ' HB3' ' A' ' 584' ' ' ALA . 1.9 pt -94.3 7.03 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.538 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 583' ' ' LYS . 0.0 OUTLIER 59.67 40.14 20.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.52 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.538 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -82.34 -75.45 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.536 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.99 -64.92 2.66 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.933 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -81.26 -15.79 54.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.06 -23.5 64.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.537 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -58.51 -26.09 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -33.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.275 0.56 . . . . 0.0 110.326 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.408 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.0 OUTLIER -67.64 -36.3 80.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.346 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.627 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 87.8 m-85 -67.56 -43.1 81.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.664 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.62 -32.5 69.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.98 99.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.225 0.536 . . . . 0.0 110.691 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.524 ' HB3' HD13 ' A' ' 596' ' ' ILE . 21.6 t-20 -79.48 -18.77 51.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.239 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 102.91 17.82 17.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.627 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 1.7 mt -99.03 105.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.797 0.332 . . . . 0.0 111.382 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.2 19.68 2.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.374 0.607 . . . . 0.0 110.078 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.89 153.16 40.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.15 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.449 ' HG3' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.58 163.63 21.35 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 88.19 -51.1 3.96 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -34.5 78.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.408 ' HG2' ' CZ ' ' A' ' 630' ' ' PHE . 7.5 ttp -60.4 -37.45 80.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.572 178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mt -68.32 -39.89 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.511 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.59 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.43 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 27.6 mm-40 -66.02 -34.72 78.74 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.943 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 91.1 t80 -65.31 -39.12 92.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.81 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.71 64.28 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.96 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -80.04 -20.88 44.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.581 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.9 m-70 -118.33 -66.97 1.02 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 38.3 t30 85.05 -31.13 0.06 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.188 0.93 . . . . 0.0 109.582 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.411 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 18.4 p-10 -102.6 25.32 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.5 OUTLIER -51.26 -56.69 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.777 -178.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.401 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.7 m-85 -57.7 -40.84 80.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.367 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -38.3 87.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.21 0.528 . . . . 0.0 110.397 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -42.8 68.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.005 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 613' ' ' PHE . 41.4 pt -68.97 -23.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.408 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 109.48 30.4 3.58 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.799 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.593 HG23 ' N ' ' A' ' 619' ' ' ASP . 19.9 mm -65.64 146.85 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.593 ' N ' HG23 ' A' ' 618' ' ' ILE . 6.7 t0 -63.8 124.22 20.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.578 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 4.7 m -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.975 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -6.08 52.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.58 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 25.0 mtpt -129.92 -2.08 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.5 tp -53.66 -44.65 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -41.24 89.85 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.457 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 0.2 OUTLIER -70.93 -37.16 72.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.981 0.42 . . . . 0.0 110.869 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.58 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.0 m-85 -68.26 -46.45 70.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.777 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.411 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 6.8 m-85 -65.62 -34.8 79.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.799 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -50.96 64.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.19 87.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' A' ' 602' ' ' MET . 0.5 OUTLIER -61.58 -46.94 87.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.231 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.565 ' O ' ' HG2' ' A' ' 635' ' ' ARG . 3.7 mm? -63.51 -44.57 93.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.428 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 13.1 m -58.47 -44.57 89.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.99 -38.45 82.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.069 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 5.6 mmt180 -66.87 -45.12 79.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 633' ' ' PHE . 11.7 mt -61.67 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.29 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.13 -35.69 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.693 0.283 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.81 -29.03 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -31.55 72.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.526 0.679 . . . . 0.0 110.04 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -7.2 36.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.71 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.807 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -61.23 119.44 45.88 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.566 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 N--CA 1.46 -0.466 0 C-N-CA 122.973 2.449 . . . . 0.0 111.374 178.792 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.729 ' CE2' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 121.404 0.621 . . . . 0.0 111.487 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 531' ' ' SER . . . . . 0.49 ' HB2' HG23 ' A' ' 539' ' ' THR . 59.1 m -121.9 130.66 53.53 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -88.21 128.89 35.46 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.465 0.65 . . . . 0.0 111.293 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -108.04 127.18 53.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.589 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.88 100.79 4.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.176 0.512 . . . . 0.0 110.162 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . 0.487 HD22 HD23 ' B' ' 537' ' ' LEU . 13.0 tp -87.03 138.2 31.7 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.644 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 121.54 33.38 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.487 HD23 HD22 ' B' ' 535' ' ' LEU . 0.4 OUTLIER -120.6 129.82 53.91 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.459 ' CB ' ' HE2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -83.38 158.05 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -47.97 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.99 67.38 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.48 -31.33 70.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.059 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.449 ' HD1' ' CB ' ' B' ' 537' ' ' LEU . 75.7 t80 -58.6 -52.85 63.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.144 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.633 HG23 ' HG ' ' B' ' 642' ' ' LEU . 0.6 OUTLIER -64.45 -34.31 77.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.98 -44.63 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.753 179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.406 HG11 HD12 ' B' ' 549' ' ' LEU . 45.1 t -69.93 -43.34 79.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.048 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.533 ' HB ' HD21 ' B' ' 642' ' ' LEU . 55.9 t -59.77 -49.48 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.147 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.2 OUTLIER -69.14 -35.92 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.727 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.605 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.0 OUTLIER -57.87 -50.9 71.75 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.665 0.269 . . . . 0.0 111.167 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.605 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 8.1 mt -71.15 -29.3 65.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.921 0.391 . . . . 0.0 110.665 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' B' ' 636' ' ' ILE . . . -65.83 -36.37 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.9 mmt85 -64.54 -46.88 80.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.68 -33.13 74.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.258 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.54 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.46 -53.38 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.061 0.458 . . . . 0.0 111.178 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.07 157.43 45.61 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 126.41 22.43 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 121.091 1.194 . . . . 0.0 109.233 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -36.04 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.082 0.467 . . . . 0.0 110.307 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.78 134.53 34.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -36.07 11.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.152 0.501 . . . . 0.0 111.168 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.405 ' HZ3' ' HA ' ' B' ' 625' ' ' LYS . 1.6 t90 -77.4 -77.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.467 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' B' ' 628' ' ' GLU . 2.1 p -80.52 128.08 73.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.333 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 8.8 Cg_exo -72.56 82.62 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.476 . . . . 0.0 112.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 1.9 p -79.41 -27.34 41.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.567 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -38.9 73.27 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.616 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.541 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -83.32 -27.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.492 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -66.67 -41.61 88.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.421 ' HB3' HD11 ' B' ' 636' ' ' ILE . 1.1 p -74.13 -19.01 60.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.92 -19.21 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.826 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.618 HG12 ' HD2' ' B' ' 577' ' ' ARG . 15.1 mt -78.95 135.43 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.764 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.5 OUTLIER -79.92 121.89 82.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.228 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' B' ' 570' ' ' LEU . 38.2 Cg_endo -68.59 21.03 0.14 Allowed 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 123.197 2.598 . . . . 0.0 112.205 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.568 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.6 p -108.92 -8.02 15.33 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.739 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -93.77 -124.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.179 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -136.71 173.83 21.89 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.903 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.486 HD22 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -75.32 -6.54 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.586 0.232 . . . . 0.0 111.138 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -41.19 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.126 0.488 . . . . 0.0 110.224 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.618 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.58 81.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.853 179.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -64.48 -47.56 78.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.209 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.66 94.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.214 0.53 . . . . 0.0 109.704 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 67.5 m -63.97 -44.41 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.066 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.4 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -57.19 -40.16 76.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.463 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.538 HD12 ' HD1' ' B' ' 626' ' ' TYR . 1.1 pt -92.87 6.25 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.128 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 56.67 41.64 28.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.493 0.663 . . . . 0.0 110.021 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -65.96 -61.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.309 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 122.26 -119.54 4.02 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 26.27 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.999 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.608 ' CG ' ' HH ' ' B' ' 626' ' ' TYR . 1.4 m-20 -61.57 -22.51 65.26 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.103 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.538 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.92 -25.07 56.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.36 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.668 HG13 ' N ' ' B' ' 590' ' ' LEU . 0.6 OUTLIER -60.79 -33.44 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 121.327 0.584 . . . . 0.0 109.611 178.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.668 ' N ' HG13 ' B' ' 589' ' ' VAL . 0.8 OUTLIER -71.29 -41.06 70.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.353 179.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.538 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 96.8 m-85 -66.45 -40.71 89.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.753 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.84 -37.74 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.441 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.62 91.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.441 ' HB3' HD11 ' B' ' 596' ' ' ILE . 5.1 t-20 -83.87 -13.15 54.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.77 49.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.486 HG22 HD22 ' B' ' 575' ' ' LEU . 6.4 mt -94.6 94.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.746 0.308 . . . . 0.0 110.422 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.76 21.52 3.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.123 0.487 . . . . 0.0 110.357 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.52 50.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.351 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.471 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.68 148.19 28.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.51 -50.93 4.11 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -40.34 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.448 ' SD ' ' HE3' ' B' ' 599' ' ' MET . 0.9 OUTLIER -59.13 -39.48 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.67 177.537 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.51 -39.45 82.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.543 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -61.72 -39.93 93.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 36.4 mm-40 -64.8 -36.31 83.91 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.613 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.555 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 12.7 t80 -62.28 -45.33 93.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.74 -44.36 90.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.008 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -79.8 -18.34 51.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.641 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -112.88 -59.25 2.04 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.388 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 7.3 t30 80.41 -33.02 0.12 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.702 0.801 . . . . 0.0 110.446 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' B' ' 609' ' ' HIS . 54.3 p-10 -109.16 26.7 10.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -52.5 -59.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 113.063 -178.283 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.7 m-85 -58.38 -38.48 77.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 111.142 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.99 -37.09 81.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.269 0.557 . . . . 0.0 110.289 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 615' ' ' ARG . 0.0 OUTLIER -69.68 -41.36 75.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.55 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 36.7 pt -72.27 -23.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.45 30.35 3.35 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.97 -1.109 . . . . 0.0 113.454 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.542 HG23 ' N ' ' B' ' 619' ' ' ASP . 17.2 mm -69.38 142.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.542 ' N ' HG23 ' B' ' 618' ' ' ILE . 11.9 t70 -65.58 128.31 35.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -27.93 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' SER . . . . . 0.441 ' HG ' ' CG ' ' B' ' 619' ' ' ASP . 0.0 OUTLIER -75.21 -9.73 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -120.59 -10.77 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.486 . . . . 0.0 110.443 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.524 HD11 HG22 ' B' ' 618' ' ' ILE . 6.1 tp -53.89 -44.01 70.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.626 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.71 87.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.287 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.405 ' HA ' ' HZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.3 -35.92 82.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.139 0.495 . . . . 0.0 110.801 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.619 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 19.9 m-85 -67.14 -51.13 57.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.476 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.75 -32.59 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.634 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . 0.477 ' HG2' HG13 ' B' ' 561' ' ' VAL . 0.3 OUTLIER -61.95 -50.32 72.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.426 0.632 . . . . 0.0 109.624 178.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' B' ' 561' ' ' VAL . . . -67.94 -39.08 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.235 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' B' ' 606' ' ' PHE . 0.5 OUTLIER -57.72 -49.58 76.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.911 179.521 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.614 ' HB3' ' NH1' ' B' ' 635' ' ' ARG . 3.1 mm? -64.34 -42.98 95.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.094 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 66.7 m -60.11 -46.64 88.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.799 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -41.64 96.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -59.95 -41.98 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.614 ' NH1' ' HB3' ' B' ' 631' ' ' LEU . 0.7 OUTLIER -61.87 -45.24 94.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.463 ' HA ' ' HB1' ' B' ' 550' ' ' ALA . 21.7 mt -64.25 -46.62 92.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.68 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.23 -45.23 84.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.38 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.03 -37.13 67.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.55 -24.77 66.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.35 -39.75 92.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.621 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -92.76 -5.22 51.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.068 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.633 ' HG ' HG23 ' B' ' 543' ' ' THR . 2.1 tp -62.12 117.29 28.29 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.438 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.94 59.18 4.62 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.025 2.483 . . . . 0.0 112.402 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.511 ' HD2' ' HB ' ' B' ' 543' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.772 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 121.513 0.673 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.8 148.39 51.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.722 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.686 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 8.4 m-30 -96.2 133.94 39.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.714 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -122.55 145.06 48.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.122 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 111.17 19.08 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.326 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' B' ' 542' ' ' TYR . 26.5 tp -95.97 137.87 34.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.54 120.36 32.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.181 0.515 . . . . 0.0 110.77 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 124.46 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.404 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 97.7 p -77.06 156.79 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -59.24 -27.31 65.66 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.88 61.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.927 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 541' ' ' GLU . 0.1 OUTLIER -83.33 -29.62 28.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -53.82 -43.98 69.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.418 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.528 HG23 ' HG ' ' A' ' 642' ' ' LEU . 6.7 p -68.31 -35.16 77.39 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.536 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.57 84.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 -42.64 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.693 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 638' ' ' GLU . 41.6 t -60.91 -49.1 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.361 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.407 ' CD ' HH12 ' A' ' 551' ' ' ARG . 0.4 OUTLIER -68.51 -34.65 76.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.197 -179.051 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.601 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.2 t80 -60.87 -51.84 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.601 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.9 mt -72.26 -25.85 61.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.563 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.0 76.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.407 HH12 ' CD ' ' A' ' 547' ' ' GLU . 3.5 mmt-85 -68.79 -39.5 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.529 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.8 -36.1 79.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.696 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.87 -32.0 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.448 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 567' ' ' SER . 27.8 mtmt -72.93 -60.25 2.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.099 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 19.6 t -80.66 120.42 79.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 1.4 Cg_endo -44.28 126.47 6.57 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 113.531 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.59 9.97 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . 0.426 ' HB2' ' HG1' ' A' ' 563' ' ' THR . 28.2 m-85 -112.99 140.99 47.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -73.1 0.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -42.76 62.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.42 120.92 68.97 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 111.675 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.482 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 10.0 Cg_exo -72.37 98.39 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.204 2.603 . . . . 0.0 111.224 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.426 ' HG1' ' HB2' ' A' ' 558' ' ' TYR . 0.0 OUTLIER -82.24 -30.68 30.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.68 -178.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.496 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.73 -49.07 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.134 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.409 ' CG1' ' HB1' ' A' ' 581' ' ' ALA . 12.7 p -72.38 -31.36 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.266 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.436 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.0 OUTLIER -68.98 -39.73 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.681 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 554' ' ' LYS . 2.3 p -75.27 -14.06 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.528 . . . . 0.0 110.297 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -21.08 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -86.63 135.12 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.547 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -81.6 129.59 65.02 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.712 ' HB3' ' HE1' ' A' ' 633' ' ' PHE . 33.1 Cg_endo -66.41 15.45 0.11 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 112.876 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 26.1 p -108.1 -0.72 20.95 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.203 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.04 -111.94 0.16 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.403 ' HA2' ' N ' ' A' ' 599' ' ' MET . . . -144.55 -167.72 12.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.716 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -101.09 -1.46 34.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.911 0.356 . . . . 0.0 110.554 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -47.27 75.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.437 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.407 ' CB ' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.46 -37.83 80.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.497 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.67 -43.67 98.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -64.25 -41.55 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.342 179.501 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 83.0 m -61.57 -40.1 93.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.05 -38.31 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.321 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.521 HG13 ' HB1' ' A' ' 584' ' ' ALA . 6.5 pt -100.36 5.06 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.735 0.303 . . . . 0.0 111.464 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.59 43.88 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.521 ' HB1' HG13 ' A' ' 582' ' ' ILE . . . -117.42 58.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.99 80.15 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.599 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -103.39 -25.05 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.598 ' HB3' ' HH ' ' A' ' 626' ' ' TYR . 1.2 m-20 -74.51 -22.45 59.04 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.089 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.806 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -57.59 -25.9 60.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.654 HG13 ' N ' ' A' ' 590' ' ' LEU . 1.0 OUTLIER -61.93 -33.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.523 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.654 ' N ' HG13 ' A' ' 589' ' ' VAL . 1.4 mm? -64.78 -36.95 85.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.615 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 93.7 m-85 -67.76 -42.49 81.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -56.9 -36.87 70.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.311 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.21 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.432 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.08 -11.63 59.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.584 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.67 22.24 26.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.951 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.615 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 3.7 mt -100.14 98.98 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.921 0.391 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.13 16.58 3.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.059 0.457 . . . . 0.0 110.749 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 150.4 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 571' ' ' PRO . 1.3 ttt -82.49 152.35 26.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . 0.466 ' HA2' HD12 ' A' ' 603' ' ' ILE . . . 91.6 -47.34 2.79 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.04 -38.86 90.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.505 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -63.99 -34.13 77.29 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.743 178.375 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.505 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mt -68.11 -39.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -60.98 -41.5 96.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.393 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.4 -34.68 78.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.114 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.514 ' HA ' ' O ' ' A' ' 609' ' ' HIS . 88.2 t80 -64.86 -36.54 84.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.786 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.35 -47.05 87.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.092 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.51 -40.83 28.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.342 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.514 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 94.5 m-70 -126.65 128.81 47.32 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.501 HD22 ' HD2' ' A' ' 532' ' ' PHE . 25.6 t-20 -91.09 -11.57 38.22 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.552 0.691 . . . . 0.0 110.474 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.39 33.39 4.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.193 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -53.93 -57.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 112.028 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.462 ' CE2' ' HZ ' ' A' ' 591' ' ' PHE . 2.1 m-85 -58.92 -38.9 80.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.283 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.94 -36.45 80.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -42.1 74.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.51 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.493 HD12 HD11 ' A' ' 618' ' ' ILE . 36.2 pt -69.79 -25.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.571 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.76 35.52 2.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.596 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.736 HG22 HD12 ' A' ' 623' ' ' LEU . 16.9 mm -67.14 145.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.591 ' N ' HG23 ' A' ' 618' ' ' ILE . 1.1 t70 -65.7 125.37 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.533 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.752 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.64 -26.16 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.08 66.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.267 0.556 . . . . 0.0 110.551 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 29.6 mtmm -122.21 3.43 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.18 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.752 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 15.6 tp -59.87 -43.42 94.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.077 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -48.89 77.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.55 -33.68 76.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.101 179.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.598 ' HH ' ' HB3' ' A' ' 587' ' ' ASP . 0.2 OUTLIER -61.28 -52.7 63.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.05 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.686 ' HB3' ' HZ ' ' A' ' 532' ' ' PHE . 15.9 m-85 -66.2 -32.46 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.153 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -45.49 78.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.629 0.252 . . . . 0.0 110.505 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.35 77.87 Favored 'General case' 0 CA--C 1.524 -0.034 0 CA-C-O 121.251 0.548 . . . . 0.0 109.817 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.217 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.458 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.4 OUTLIER -66.29 -41.14 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.346 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.77 87.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.743 0.306 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.712 ' HE1' ' HB3' ' A' ' 571' ' ' PRO . 7.0 t80 -63.38 -39.0 93.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.248 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.12 -38.21 82.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.88 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.501 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.2 OUTLIER -67.1 -45.43 77.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 16.1 mt -64.83 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.76 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.51 ' HG2' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.04 -46.96 82.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.272 -179.202 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.541 ' HB3' HG13 ' A' ' 546' ' ' VAL . 5.5 tp10 -69.48 -35.78 75.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.705 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.43 -26.36 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.709 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.9 mtt -64.71 -41.76 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.218 0.532 . . . . 0.0 110.094 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -5.73 39.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.996 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.705 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 3.5 tp -63.76 127.72 91.91 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.103 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 543' ' ' THR . 97.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 C-N-CA 123.16 2.574 . . . . 0.0 110.804 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.616 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 4.4 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 141.31 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.651 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -87.05 146.52 26.06 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.143 0.497 . . . . 0.0 110.926 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.89 126.39 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.658 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.62 110.1 22.73 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.6 tp -106.73 140.31 39.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.335 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.85 121.59 33.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.221 0.534 . . . . 0.0 109.57 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -115.37 143.09 45.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.23 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.636 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -74.43 154.72 38.64 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -36.07 67.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.876 0.762 . . . . 0.0 112.026 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.65 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.064 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.58 -31.53 47.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.318 0.58 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.444 ' HA ' HD11 ' B' ' 537' ' ' LEU . 83.2 t80 -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.411 HG23 ' HG ' ' B' ' 642' ' ' LEU . 13.6 p -60.46 -35.67 76.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -44.51 87.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.17 -43.24 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.289 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.542 ' HB ' HD23 ' B' ' 642' ' ' LEU . 45.5 t -59.99 -50.91 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.443 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -65.37 -34.46 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.742 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.53 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.4 t80 -59.36 -48.42 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.1 mt -71.6 -32.47 68.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.6 78.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.938 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 0.1 OUTLIER -62.78 -45.92 90.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.361 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.473 ' HA ' ' NH1' ' B' ' 557' ' ' ARG . 2.9 mt-10 -67.5 -32.47 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.788 ' HA ' HG21 ' B' ' 563' ' ' THR . . . -77.91 -27.08 49.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.131 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.4 -47.25 14.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.124 0.488 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . 0.591 ' HB ' HH11 ' B' ' 557' ' ' ARG . 58.7 t -84.91 131.21 49.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.668 ' HD3' ' HG2' ' B' ' 564' ' ' GLN . 10.1 Cg_endo -53.01 128.11 27.67 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.492 2.128 . . . . 0.0 112.127 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . 0.591 HH11 ' HB ' ' B' ' 555' ' ' VAL . 1.3 mpt_? -136.86 -32.74 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.91 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -105.67 151.01 24.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -48.51 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.709 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.487 ' CE3' HG11 ' B' ' 561' ' ' VAL . 0.2 OUTLIER -69.51 -28.92 66.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.699 -179.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.495 ' O ' HG12 ' B' ' 561' ' ' VAL . 7.5 p -120.79 96.74 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.418 0.627 . . . . 0.0 109.478 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.579 ' HB2' HG13 ' B' ' 565' ' ' VAL . 32.4 Cg_exo -58.73 106.91 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.822 2.348 . . . . 0.0 111.758 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 563' ' ' THR . . . . . 0.788 HG21 ' HA ' ' B' ' 553' ' ' ALA . 0.1 OUTLIER -79.72 -39.76 30.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.663 -178.462 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.668 ' HG2' ' HD3' ' B' ' 556' ' ' PRO . 1.3 tm0? -58.62 -49.95 75.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.849 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' B' ' 562' ' ' PRO . 11.0 p -65.06 -31.3 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -67.06 -42.87 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.645 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.448 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -73.18 -13.75 61.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.473 0.654 . . . . 0.0 110.08 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.61 -14.66 54.39 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 4.3 mt -83.57 140.09 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' B' ' 572' ' ' THR . 1.1 mm? -90.71 121.48 68.16 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.683 ' HB3' ' HE1' ' B' ' 633' ' ' PHE . 56.2 Cg_endo -69.72 27.89 0.18 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.229 2.62 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.8 p -108.86 -17.78 13.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.66 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.9 -110.95 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.43 -170.91 12.89 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.569 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.531 HD11 HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -98.74 2.72 47.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.643 0.258 . . . . 0.0 111.155 -178.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -46.75 76.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.073 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.449 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.8 -38.37 90.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.372 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.656 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 77.1 t80 -63.42 -46.46 86.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.531 HD22 HD11 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.06 -40.53 96.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.479 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -61.09 -41.77 97.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.305 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.19 81.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.112 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.471 ' O ' ' HE2' ' B' ' 625' ' ' LYS . 5.6 pt -94.97 6.39 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.52 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mttm 60.74 40.91 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.299 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.53 ' HB1' ' HE3' ' B' ' 622' ' ' LYS . . . -117.22 53.4 0.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.449 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -71.89 -6.95 64.9 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.961 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -17.16 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.504 0.652 . . . . 0.0 110.848 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.655 ' HB3' ' HH ' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -73.85 -21.72 60.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.071 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.681 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.1 OUTLIER -57.19 -25.57 59.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.828 179.009 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.453 HG13 ' N ' ' B' ' 590' ' ' LEU . 1.0 OUTLIER -59.14 -33.23 49.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.296 0.569 . . . . 0.0 110.112 179.115 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.463 ' HG ' ' C ' ' B' ' 617' ' ' GLY . 0.9 OUTLIER -69.56 -35.62 75.56 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.647 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.681 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 95.9 m-85 -67.37 -43.13 82.18 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.634 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.99 -31.52 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.058 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.01 95.84 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.7 t30 -82.68 -10.04 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.39 20.21 35.96 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.185 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 6.5 mt -98.47 94.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 16.06 4.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.381 0.61 . . . . 0.0 109.663 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 149.32 40.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 2.3 mmt -83.17 139.67 33.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 116.13 -53.51 0.62 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.56 -35.69 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.16 0.505 . . . . 0.0 109.79 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.85 -43.51 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.008 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.48 -40.71 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.929 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -63.66 -44.16 94.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.99 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.22 -35.53 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.486 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.427 ' HA ' HD13 ' B' ' 612' ' ' ILE . 73.6 t80 -62.2 -38.84 90.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.707 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -37.59 80.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.604 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -76.61 -36.31 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.568 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -111.37 -134.92 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.614 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 175.49 -38.06 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -99.78 33.47 2.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.88 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' B' ' 606' ' ' PHE . 1.1 mp -52.41 -57.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.66 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.421 ' CE2' ' HZ ' ' B' ' 591' ' ' PHE . 2.2 m-85 -60.99 -41.61 96.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.052 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.71 -40.24 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 0.0 110.596 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -43.08 73.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.765 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.512 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.8 pt -66.23 -25.3 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . 0.463 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 114.4 27.66 3.29 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.153 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.475 HG22 ' N ' ' B' ' 619' ' ' ASP . 16.3 mm -65.91 144.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.475 ' N ' HG22 ' B' ' 618' ' ' ILE . 19.7 t0 -64.65 121.66 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.067 0.46 . . . . 0.0 110.706 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.687 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.9 OUTLIER -62.14 -24.02 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.53 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -15.43 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.363 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.53 ' HE3' ' HB1' ' B' ' 584' ' ' ALA . 8.4 mtmm -117.69 -1.09 11.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.687 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 2.6 tp -55.6 -45.35 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.416 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.557 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -61.2 -48.93 79.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.389 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' B' ' 582' ' ' ILE . 0.0 OUTLIER -67.19 -33.69 75.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.384 0.611 . . . . 0.0 109.93 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.655 ' HH ' ' HB3' ' B' ' 587' ' ' ASP . 0.2 OUTLIER -64.98 -53.67 42.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.208 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.82 -32.39 73.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 624' ' ' SER . 8.5 tp10 -58.75 -51.48 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.656 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -68.83 -44.34 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.148 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.49 -49.9 74.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.491 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 3.9 mm? -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.27 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 75.6 m -60.83 -41.6 96.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.068 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.683 ' HE1' ' HB3' ' B' ' 571' ' ' PRO . 7.0 t80 -60.83 -46.12 91.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.815 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.76 -39.04 90.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 631' ' ' LEU . 0.1 OUTLIER -64.66 -44.82 89.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.896 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.448 HD13 ' HB3' ' B' ' 567' ' ' SER . 54.2 mt -62.83 -44.88 99.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.098 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.18 -43.57 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.28 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.49 ' HA ' ' HE2' ' B' ' 641' ' ' LYS . 3.9 tp10 -65.62 -36.26 83.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.734 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.56 -26.33 67.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.814 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 16.9 mtt -67.4 -32.04 72.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.581 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -94.97 -8.64 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.858 179.349 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.5 tp -69.54 122.97 87.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.414 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.69 60.02 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.676 2.251 . . . . 0.0 111.365 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 121.161 0.505 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 133.31 40.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.484 ' CZ ' HD22 ' A' ' 631' ' ' LEU . 7.2 m-85 -92.2 131.7 37.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.25 125.95 50.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 91.57 8.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.107 0.479 . . . . 0.0 109.796 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.34 147.71 22.85 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.183 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.85 122.49 35.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.804 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.64 130.12 56.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.435 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.544 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -73.27 157.88 36.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.196 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -46.97 -55.99 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.04 97.28 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 545' ' ' VAL . 2.7 mm-40 -69.43 -33.63 73.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 0.0 110.259 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.422 ' CD2' ' HD3' ' B' ' 533' ' ' ARG . 71.1 t80 -62.84 -51.13 68.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.347 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.627 HG23 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -66.22 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.905 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -64.6 -43.63 93.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.479 HG12 HG13 ' B' ' 545' ' ' VAL . 69.9 t -71.34 -43.11 73.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 111.59 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.533 ' HB ' HD23 ' A' ' 642' ' ' LEU . 54.4 t -60.79 -49.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.19 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -68.58 -34.82 76.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.551 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -59.0 -49.77 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.118 0.485 . . . . 0.0 110.695 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.4 mt -71.43 -26.99 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.248 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.79 82.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.465 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.3 mmt85 -67.95 -42.01 81.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.23 0.538 . . . . 0.0 110.23 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -67.38 -33.88 76.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.62 -24.86 49.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.523 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -81.41 -48.36 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.386 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.65 121.79 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.97 129.42 33.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.825 2.35 . . . . 0.0 112.608 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.72 22.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.877 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -126.19 139.32 53.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -10.4 10.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.569 0.7 . . . . 0.0 109.125 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.492 ' HH2' ' HB2' ' A' ' 624' ' ' SER . 34.8 t90 -92.93 -44.37 8.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.763 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.2 p -119.15 130.73 24.68 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.334 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 3.3 Cg_exo -77.7 65.6 8.14 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.91 2.406 . . . . 0.0 112.453 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -22.0 61.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -48.56 75.36 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.96 0.409 . . . . 0.0 111.537 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 569' ' ' ILE . 7.5 p -74.62 -25.85 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.38 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.583 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -65.53 -42.4 93.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.292 -179.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.471 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -71.17 -16.33 62.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.399 0.619 . . . . 0.0 110.21 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -84.26 -16.97 41.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.606 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 15.5 mt -78.31 139.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.151 0.5 . . . . 0.0 111.22 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.5 OUTLIER -95.03 119.93 65.11 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.414 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.555 ' O ' ' HB2' ' A' ' 599' ' ' MET . 58.5 Cg_endo -70.91 25.71 0.21 Allowed 'Trans proline' 0 N--CA 1.472 0.21 0 C-N-CA 122.993 2.462 . . . . 0.0 112.21 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.767 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 62.8 p -109.16 -16.68 14.04 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.693 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.5 -19.4 19.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 133.67 -147.12 18.92 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -121.88 3.56 9.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 110.032 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -45.83 77.3 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.746 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.436 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.431 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.04 -44.14 91.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.921 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.855 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -65.44 -38.94 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 20.5 m -65.51 -36.86 85.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.881 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.64 77.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.166 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.424 HD11 ' CZ ' ' A' ' 626' ' ' TYR . 19.6 pt -98.31 5.35 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.751 0.31 . . . . 0.0 111.297 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 40.62 12.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.751 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -112.46 54.29 0.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.251 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -72.89 6.76 11.36 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -108.7 -24.23 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.775 0.787 . . . . 0.0 110.562 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.664 ' HB2' ' HH ' ' A' ' 626' ' ' TYR . 3.2 m-20 -74.25 -21.57 59.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.142 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.855 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -56.94 -25.42 57.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.228 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.672 HG12 ' N ' ' A' ' 590' ' ' LEU . 1.6 p -60.05 -34.13 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.245 0.545 . . . . 0.0 109.932 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.672 ' N ' HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -66.36 -39.31 89.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.595 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 77.3 m-85 -67.7 -42.83 81.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.129 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -40.97 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.208 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.12 96.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.249 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.409 ' HB3' HG13 ' A' ' 596' ' ' ILE . 7.8 t30 -82.57 -11.25 58.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.167 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.97 16.5 56.02 Favored Glycine 0 CA--C 1.511 -0.168 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.292 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 8.1 mt -93.98 106.4 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.93 0.395 . . . . 0.0 111.457 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -167.38 22.87 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.64 172.45 9.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.58 . . . . 0.0 112.317 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.767 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.22 135.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.883 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.91 -28.89 2.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.935 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -64.04 -46.13 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.747 0.419 . . . . 0.0 110.432 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.131 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.6 mt -68.06 -40.79 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.545 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.06 -44.8 91.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.64 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.785 ' HB3' HG22 ' A' ' 612' ' ' ILE . 63.9 mm-40 -61.8 -39.75 92.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.677 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 89.0 t80 -63.73 -42.51 97.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.756 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 20.3 mt-10 -70.54 -42.04 71.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -78.2 -28.7 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.564 ' O ' ' HB2' ' A' ' 610' ' ' ASN . 5.9 m-70 -122.93 -54.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 609' ' ' HIS . 35.8 m-80 79.13 -34.79 0.16 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.235 0.614 . . . . 0.0 109.9 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 609' ' ' HIS . 5.1 p-10 -94.5 20.43 8.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.785 HG22 ' HB3' ' A' ' 605' ' ' GLU . 0.3 OUTLIER -49.96 -58.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.29 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.459 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.0 m-85 -57.8 -44.11 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.989 0.423 . . . . 0.0 111.241 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.47 -39.98 95.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.411 0.624 . . . . 0.0 110.467 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -70.47 -42.63 71.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.24 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.491 HD11 HD13 ' A' ' 618' ' ' ILE . 39.1 pt -67.31 -26.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.604 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.414 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.45 36.03 1.82 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.561 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.599 HG23 ' N ' ' A' ' 619' ' ' ASP . 22.1 mm -67.44 144.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.802 0.301 . . . . 0.0 110.689 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.599 ' N ' HG23 ' A' ' 618' ' ' ILE . 0.8 OUTLIER -66.12 129.97 41.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.656 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -65.2 -26.79 68.29 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -177.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -22.12 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.107 0.479 . . . . 0.0 111.043 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.67 7.77 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.656 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 24.3 tp -61.9 -42.77 99.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.492 ' HB2' ' HH2' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -63.16 -48.25 79.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.4 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 2.9 ttpt -67.45 -34.14 76.59 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.664 ' HH ' ' HB2' ' A' ' 587' ' ' ASP . 0.2 OUTLIER -60.88 -52.28 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.599 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.405 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 11.2 m-85 -66.74 -32.35 73.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.837 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.89 -49.84 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.199 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.19 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.414 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -61.09 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.264 -179.186 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' A' ' 532' ' ' PHE . 0.5 OUTLIER -58.67 -44.15 90.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.898 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 3.2 m -64.01 -41.33 97.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.327 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.535 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 10.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.705 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -61.87 -40.91 97.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -63.66 -45.37 90.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 567' ' ' SER . 38.7 mt -62.78 -46.37 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 110.099 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -59.41 -44.31 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.582 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.446 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -59.2 -29.34 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.565 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 4.3 mtm -66.16 -34.93 79.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.663 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -5.55 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.706 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' A' ' 543' ' ' THR . 2.6 tp -63.66 123.67 82.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.233 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 19.7 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 C-N-CA 122.992 2.461 . . . . 0.0 111.172 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.487 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.2 p90 . . . . . 0 N--CA 1.446 -0.626 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 148.75 30.7 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.71 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -115.61 137.33 52.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . 0.422 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 5.5 mtp180 -131.23 141.61 50.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.331 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.56 143.14 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.697 0.284 . . . . 0.0 111.388 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 14.5 tp -133.96 140.45 46.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.84 124.19 36.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.536 0.684 . . . . 0.0 111.533 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.568 HD11 HG23 ' B' ' 545' ' ' VAL . 0.7 OUTLIER -119.66 126.9 52.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.911 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 156.18 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -42.24 63.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.57 91.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.71 -29.37 36.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.768 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -54.91 -51.59 65.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.047 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.487 HG21 ' HG ' ' B' ' 642' ' ' LEU . 9.3 p -62.12 -37.12 83.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.805 0.336 . . . . 0.0 111.735 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -66.38 -44.71 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.568 HG23 HD11 ' B' ' 537' ' ' LEU . 92.9 t -70.74 -41.49 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.26 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' B' ' 638' ' ' GLU . 43.6 t -59.79 -50.42 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.42 -39.03 93.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.696 -179.489 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.533 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.8 OUTLIER -58.81 -48.82 79.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.3 mt -71.29 -35.65 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.55 83.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.5 mmt180 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.551 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -68.38 -32.59 72.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.569 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -76.65 -27.93 55.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.889 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -73.11 -32.68 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.614 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.35 112.76 59.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.565 ' HB3' ' HB3' ' B' ' 564' ' ' GLN . 20.7 Cg_endo -61.24 126.59 19.74 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.123 1.882 . . . . 0.0 112.857 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 8.59 4.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.187 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -130.65 125.72 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.645 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -14.32 26.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.694 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 8.7 t90 -70.33 -52.86 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.345 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 1.8 p -115.09 123.48 31.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.193 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.59 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 16.3 Cg_exo -68.17 85.07 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.11 2.54 . . . . 0.0 112.564 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.95 -19.08 22.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.17 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.565 ' HB3' ' HB3' ' B' ' 556' ' ' PRO . 4.3 pm0 -62.3 -47.59 83.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.807 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.507 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 14.5 p -78.72 -26.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.648 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.561 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.0 -39.43 85.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.431 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.478 ' HB3' HD11 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.83 -14.15 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.203 0.525 . . . . 0.0 110.793 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -87.87 -15.99 35.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.428 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.841 HG21 ' HB3' ' B' ' 577' ' ' ARG . 25.1 mt -76.24 137.73 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.301 0.572 . . . . 0.0 111.933 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.56 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -93.75 121.26 64.91 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 177.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.518 ' HB3' ' HE2' ' B' ' 633' ' ' PHE . 35.1 Cg_endo -66.99 15.43 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 122.955 2.437 . . . . 0.0 112.516 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.56 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.5 p -107.87 0.22 21.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -16.91 15.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.451 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 120.03 -151.07 17.44 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.442 ' O ' HD21 ' B' ' 579' ' ' LEU . 0.2 OUTLIER -115.03 -8.87 12.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.007 0.404 . . . . 0.0 110.735 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.59 74.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.926 0.393 . . . . 0.0 111.461 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.841 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.15 -37.05 83.73 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.152 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.434 ' HA ' HD11 ' B' ' 569' ' ' ILE . 46.6 t80 -65.78 -42.62 90.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.858 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -63.83 -44.4 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.5 m -62.03 -38.81 90.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.952 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.506 ' HB3' ' CG1' ' B' ' 565' ' ' VAL . . . -56.18 -42.4 77.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.194 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.59 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 4.9 pt -96.15 6.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.951 0.405 . . . . 0.0 110.674 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.87 41.78 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.715 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -111.88 54.06 0.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.182 0.515 . . . . 0.0 110.915 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.94 4.08 Favored Glycine 0 N--CA 1.454 -0.164 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.033 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -166.11 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.908 0.861 . . . . 0.0 108.868 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.554 ' CB ' ' HH ' ' B' ' 626' ' ' TYR . 0.7 OUTLIER -73.64 -21.07 60.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.165 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.75 ' HB3' HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -56.89 -26.05 58.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.818 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.453 HG11 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.3 -33.44 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.301 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.453 HD22 HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.71 -35.64 80.6 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.85 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 88.2 m-85 -67.44 -44.34 78.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.571 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.28 -35.29 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.206 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.87 83.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.437 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -86.55 -8.07 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.57 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.3 21.58 31.99 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.387 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 5.3 mt -104.98 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.62 17.46 1.48 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.888 0.375 . . . . 0.0 110.587 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.96 172.55 8.86 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 5.9 ptp -81.08 134.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.341 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 83.24 -28.19 3.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.47 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -42.14 81.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.903 0.382 . . . . 0.0 110.554 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.427 ' HB3' HD23 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -65.49 -38.79 90.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -68.14 -40.52 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 109.693 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -47.05 87.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.271 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.612 ' HB3' HG23 ' B' ' 612' ' ' ILE . 4.6 mm-40 -64.27 -35.55 81.21 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.039 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -66.77 -36.55 82.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.502 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.397 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -77.19 -40.42 45.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.381 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.78 144.84 51.24 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -1.85 20.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.775 0.797 . . . . 0.0 109.312 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.483 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 29.8 p-10 -114.07 27.25 9.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.283 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.612 HG23 ' HB3' ' B' ' 605' ' ' GLU . 0.5 OUTLIER -52.55 -60.73 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.932 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.51 ' HE2' ' CD1' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.89 -38.59 76.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.201 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' B' ' 623' ' ' LEU . 0.6 OUTLIER -66.24 -38.93 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.151 0.501 . . . . 0.0 110.299 179.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -69.88 -41.99 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.927 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.445 HD11 HD12 ' B' ' 618' ' ' ILE . 37.7 pt -69.78 -24.41 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.24 3.38 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.603 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.542 HG22 ' N ' ' B' ' 619' ' ' ASP . 21.8 mm -67.53 143.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.92 0.36 . . . . 0.0 110.166 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.799 ' HB3' ' HD2' ' B' ' 622' ' ' LYS . 15.5 t0 -66.84 124.77 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.2 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.762 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -59.31 -28.64 66.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' SER . . . . . 0.413 ' HG ' ' CG ' ' B' ' 619' ' ' ASP . 0.4 OUTLIER -66.53 -17.97 65.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.462 179.59 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.799 ' HD2' ' HB3' ' B' ' 619' ' ' ASP . 2.8 mttt -113.86 -10.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.065 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.762 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 12.4 tp -54.49 -45.11 73.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.748 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.694 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.52 -47.76 82.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.947 0.403 . . . . 0.0 111.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -34.61 77.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.434 0.635 . . . . 0.0 109.787 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.554 ' HH ' ' CB ' ' B' ' 587' ' ' ASP . 0.5 OUTLIER -62.33 -52.54 63.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.815 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.483 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 11.7 m-85 -65.68 -32.57 74.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.446 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.65 84.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.503 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -49.93 75.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.116 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.544 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.7 mm? -65.52 -44.66 86.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.864 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 19.3 m -63.84 -36.07 82.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.518 ' HE2' ' HB3' ' B' ' 571' ' ' PRO . 16.8 t80 -60.03 -42.04 93.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.668 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.64 -41.39 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.51 ' HD3' HD11 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' B' ' 567' ' ' SER . 20.4 mt -66.07 -45.04 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.24 -47.03 84.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.151 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.571 ' HB3' HG13 ' B' ' 546' ' ' VAL . 7.5 tp10 -63.58 -37.49 87.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.0 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.481 ' HA ' HD21 ' B' ' 642' ' ' LEU . . . -61.05 -27.41 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -28.71 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.431 0.634 . . . . 0.0 109.768 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.25 -6.39 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.665 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.526 HD23 ' HB ' ' B' ' 546' ' ' VAL . 0.8 OUTLIER -69.3 117.06 48.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.004 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.81 -9.08 11.04 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 4.9 mttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.054 -179.69 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.534 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 1.9 m -71.33 138.23 49.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.845 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.426 ' CE2' ' HE1' ' A' ' 606' ' ' PHE . 50.3 m-85 -88.44 140.61 29.29 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.249 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.41 126.67 28.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.645 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' THR . . . . . 0.461 HG21 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.7 115.98 21.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.959 0.409 . . . . 0.0 109.935 178.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.89 150.12 25.12 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.71 122.36 32.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 0.0 109.937 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 542' ' ' TYR . 2.0 mm? -118.45 134.79 54.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.602 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.508 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.8 OUTLIER -83.0 158.43 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -43.21 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.36 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -80.6 -30.39 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.258 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.469 ' HA ' HD13 ' A' ' 537' ' ' LEU . 74.7 t80 -55.7 -51.52 67.02 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.55 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.427 ' CG2' ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -67.14 -33.66 75.91 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.214 0.53 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -44.24 84.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.494 HG11 HD12 ' A' ' 549' ' ' LEU . 83.8 t -70.97 -44.89 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.229 0.538 . . . . 0.0 111.771 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.541 ' HB ' HD22 ' A' ' 642' ' ' LEU . 59.1 t -59.46 -49.5 83.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.082 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -68.85 -34.14 74.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.588 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -59.42 -50.76 72.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.179 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.3 mt -71.86 -27.62 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.45 -33.24 75.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 37.3 mmt-85 -63.28 -48.39 78.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.909 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 557' ' ' ARG . 14.8 mt-10 -65.86 -32.15 73.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.51 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -76.65 -24.55 53.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.052 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.532 ' HE2' HG22 ' A' ' 636' ' ' ILE . 21.9 mtmt -95.28 -55.96 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.323 0.582 . . . . 0.0 109.965 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.92 127.27 43.71 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.3 124.79 8.17 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.517 2.145 . . . . 0.0 112.736 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . 0.447 ' HB2' ' HA ' ' A' ' 552' ' ' GLU . 1.3 mtt180 -163.06 16.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.342 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -100.56 150.76 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -19.27 54.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.108 0.48 . . . . 0.0 109.928 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 3.1 t90 -154.95 148.25 25.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.523 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.418 HG23 ' HD2' ' A' ' 562' ' ' PRO . 0.5 OUTLIER 81.08 135.6 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 112.402 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 561' ' ' VAL . 78.0 Cg_endo -85.23 98.73 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.052 2.501 . . . . 0.0 111.593 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 1.7 p -79.07 -22.32 45.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.22 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.87 -48.21 75.96 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 581' ' ' ALA . 13.0 p -68.75 -30.08 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.994 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.2 t -71.13 -38.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.475 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -14.53 62.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 110.059 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -10.69 59.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.407 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 566' ' ' VAL . 3.8 mt -92.27 141.58 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.634 ' O ' ' HG2' ' A' ' 573' ' ' GLU . 0.6 OUTLIER -94.5 127.95 42.03 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.205 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.709 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 32.4 Cg_endo -67.55 18.96 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.215 0 C-N-CA 122.856 2.371 . . . . 0.0 112.436 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.566 ' H ' ' C ' ' A' ' 570' ' ' LEU . 45.8 p -108.25 -13.28 14.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -97.77 -109.64 0.17 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.727 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -147.06 158.71 27.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.914 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.05 -4.89 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.671 0.388 . . . . 0.0 112.032 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 577' ' ' ARG . 0.5 OUTLIER -55.32 -38.25 68.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 120.658 0.266 . . . . 0.0 110.356 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.491 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.55 -37.52 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 0.0 110.297 178.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.79 -45.48 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 582' ' ' ILE . 0.3 OUTLIER -66.35 -42.22 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 109.896 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 17.1 m -62.04 -37.17 83.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.472 ' HB3' HG11 ' A' ' 565' ' ' VAL . . . -55.55 -47.46 76.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.26 0.552 . . . . 0.0 111.061 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.817 HD11 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -88.65 8.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.977 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.12 39.97 18.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.273 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.496 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -81.2 -85.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.217 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.7 -47.0 2.96 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 121.085 -0.579 . . . . 0.0 114.527 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -79.74 -42.76 23.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.309 0.576 . . . . 0.0 111.814 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.67 -22.35 66.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.878 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.526 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -58.17 -25.1 61.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.092 0.473 . . . . 0.0 110.346 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.503 HG11 ' N ' ' A' ' 590' ' ' LEU . 1.2 p -60.15 -34.52 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.503 ' N ' HG11 ' A' ' 589' ' ' VAL . 1.1 mm? -65.25 -36.01 82.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.778 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.526 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 92.0 m-85 -68.26 -43.16 78.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.822 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.93 -40.23 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.7 80.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.418 ' HB3' HG13 ' A' ' 596' ' ' ILE . 22.2 t30 -83.55 -4.8 58.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.208 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 82.86 24.63 52.37 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.227 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.473 HG21 HD23 ' A' ' 575' ' ' LEU . 20.1 mt -89.77 -96.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.691 -0.255 . . . . 0.0 110.524 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . 0.421 ' H ' ' HB ' ' A' ' 596' ' ' ILE . 27.5 p90 54.39 -10.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.578 1.551 . . . . 0.0 115.168 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' THR . . . . . 0.472 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -112.4 151.13 30.18 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.646 . . . . 0.0 110.501 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.448 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.86 135.43 34.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.987 0.422 . . . . 0.0 110.03 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 119.18 -59.58 0.52 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.464 ' OD1' ' HD2' ' A' ' 604' ' ' ARG . 31.3 t70 -61.86 -34.81 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 109.977 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.472 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.785 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.472 ' N ' ' HG2' ' A' ' 602' ' ' MET . 2.3 mt -68.57 -40.88 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . 0.464 ' HD2' ' OD1' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -62.58 -39.64 94.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.944 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.537 ' HB3' HG21 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -66.72 -34.07 77.04 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.972 178.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 18.8 t80 -64.94 -42.72 94.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.4 -42.34 92.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.0 OUTLIER -76.48 -25.2 54.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.328 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 4.6 m-70 -117.64 -133.92 0.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 0.0 111.328 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.501 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER 169.97 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -179.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -109.54 32.18 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.8 OUTLIER -52.44 -54.41 15.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.749 -178.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.2 m-85 -60.92 -42.07 97.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . 0.638 ' HG3' HD13 ' A' ' 623' ' ' LEU . 1.0 OUTLIER -63.56 -40.13 96.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.305 179.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.58 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.3 pt -75.39 -19.51 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 108.96 27.62 4.79 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.371 -0.918 . . . . 0.0 113.244 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.846 HG22 HD11 ' A' ' 623' ' ' LEU . 11.6 mm -65.98 146.44 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.6 ' N ' HG23 ' A' ' 618' ' ' ILE . 19.7 t0 -66.01 121.62 15.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.642 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -65.57 -28.15 68.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.23 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -15.02 61.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 110.637 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -120.5 0.71 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.846 HD11 HG22 ' A' ' 618' ' ' ILE . 0.6 OUTLIER -55.7 -45.48 77.84 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.273 -179.151 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -40.12 91.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.547 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 0.8 OUTLIER -70.03 -38.5 75.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.159 0.505 . . . . 0.0 110.05 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.817 ' HD1' HD11 ' A' ' 582' ' ' ILE . 16.6 m-85 -67.53 -50.98 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.543 ' O ' HD23 ' A' ' 631' ' ' LEU . 15.9 m-85 -65.35 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.74 -50.82 72.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.525 0.678 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.68 80.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.857 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -49.84 72.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.734 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.715 ' O ' ' HD2' ' A' ' 635' ' ' ARG . 1.9 mm? -62.11 -44.77 95.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 5.0 m -55.7 -42.05 74.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.388 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.709 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 5.4 t80 -62.58 -44.04 97.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.49 -39.96 92.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.715 ' HD2' ' O ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -63.95 -45.64 88.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.532 HG22 ' HE2' ' A' ' 554' ' ' LYS . 34.2 mt -62.41 -47.22 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.433 . . . . 0.0 110.685 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -57.26 -46.71 82.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -37.41 86.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 0.0 110.542 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.04 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.305 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.8 mtm -70.12 -30.7 67.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.169 0.509 . . . . 0.0 109.782 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.41 -4.76 44.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.712 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.541 HD22 ' HB ' ' A' ' 546' ' ' VAL . 1.9 tp -56.21 131.02 75.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.482 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--N 1.345 0.384 0 C-N-CA 123.097 2.531 . . . . 0.0 112.202 179.525 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.96 142.94 28.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.947 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.84 138.9 31.05 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.982 0.42 . . . . 0.0 110.121 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 126.44 54.17 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 117.75 28.54 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.419 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.14 142.5 34.81 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.461 HG23 HG21 ' A' ' 534' ' ' THR . 0.0 OUTLIER -90.92 119.32 31.02 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.329 0.585 . . . . 0.0 110.247 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.3 OUTLIER -121.45 135.19 55.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.277 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.47 156.47 20.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -40.85 77.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.73 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -26.27 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 111.23 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 537' ' ' LEU . 88.2 t80 -52.3 -47.37 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.296 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.754 ' HB ' ' HG3' ' B' ' 644' ' ' LYS . 1.0 OUTLIER -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -43.37 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.562 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.427 ' CG1' HG12 ' A' ' 545' ' ' VAL . 77.8 t -71.06 -43.28 76.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.474 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.516 ' HB ' HD22 ' B' ' 642' ' ' LEU . 43.0 t -60.23 -50.74 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.65 -30.73 71.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.773 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.511 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -66.87 -48.15 69.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 13.9 mt -72.28 -30.31 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.669 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -60.99 -32.53 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.603 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt-85 -63.15 -47.61 81.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.45 . . . . 0.0 110.084 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.06 -32.45 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.498 ' O ' ' HB ' ' B' ' 563' ' ' THR . . . -76.7 -31.09 57.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.244 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -75.56 -51.17 13.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 80.4 t -105.92 107.79 60.29 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.36 127.62 9.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.449 2.766 . . . . 0.0 114.064 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 20.6 3.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.098 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.84 159.35 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.723 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 2.6 m -72.82 -28.31 62.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.179 0.514 . . . . 0.0 110.781 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.476 ' HH2' ' CD ' ' B' ' 625' ' ' LYS . 33.0 t90 -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.578 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.4 OUTLIER 80.4 126.1 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 0.0 112.096 179.02 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 71.7 Cg_endo -94.95 81.06 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 123.591 2.86 . . . . 0.0 111.508 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 563' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -70.08 -10.88 60.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.536 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -58.7 -50.28 74.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -179.234 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' B' ' 581' ' ' ALA . 7.1 p -71.52 -28.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.513 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -67.06 -39.76 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -14.36 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.252 0.549 . . . . 0.0 110.294 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.67 -17.35 48.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.203 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 7.7 mt -77.22 145.96 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.4 OUTLIER -93.93 117.84 67.24 Favored Pre-proline 0 C--N 1.318 -0.804 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.559 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 43.7 Cg_endo -67.08 18.29 0.11 Allowed 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 123.134 2.556 . . . . 0.0 113.017 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.54 ' H ' ' C ' ' B' ' 570' ' ' LEU . 44.7 p -108.33 -10.17 15.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -89.97 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -160.74 162.32 33.4 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.548 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.522 ' HB3' ' HE2' ' B' ' 602' ' ' MET . 0.1 OUTLIER -73.18 -3.19 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.848 0.459 . . . . 0.0 111.887 -179.205 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -41.85 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.064 0.459 . . . . 0.0 110.852 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.487 ' CB ' HG21 ' B' ' 569' ' ' ILE . 0.3 OUTLIER -68.23 -36.99 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.13 179.022 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.9 -47.73 82.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.591 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 575' ' ' LEU . 0.3 OUTLIER -64.48 -38.33 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 58.0 m -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.713 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.489 ' HB3' HG11 ' B' ' 565' ' ' VAL . . . -58.56 -44.2 89.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.111 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.48 HD11 ' HD1' ' B' ' 626' ' ' TYR . 3.0 pt -86.88 11.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.04 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.39 38.77 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.366 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.778 ' HB1' ' OD1' ' B' ' 587' ' ' ASP . . . -101.94 -107.11 0.25 Allowed 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 88.46 -1.25 83.97 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 114.856 0.703 . . . . 0.0 114.856 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -113.74 -13.46 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.372 1.082 . . . . 0.0 109.254 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.778 ' OD1' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -76.04 -22.81 55.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.757 179.196 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.452 ' HA ' ' HD2' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -56.25 -25.72 48.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.485 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.494 HG13 ' N ' ' B' ' 590' ' ' LEU . 1.3 p -59.51 -34.04 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.815 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.494 ' N ' HG13 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -71.82 -40.28 69.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.762 0.792 . . . . 0.0 109.043 179.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.458 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.3 m-85 -67.33 -39.69 85.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.506 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 32.6 t30 -62.81 -40.33 97.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.88 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.97 86.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.182 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -82.52 -8.7 59.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 84.74 25.0 43.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.336 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.493 HG23 HD22 ' B' ' 575' ' ' LEU . 19.1 mt -83.37 -89.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.818 -0.191 . . . . 0.0 110.723 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 20.6 p90 46.42 6.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 598' ' ' THR . . . . . 0.435 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -132.41 151.46 51.87 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.998 -0.439 . . . . 0.0 110.245 178.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.559 ' SD ' ' HA ' ' B' ' 571' ' ' PRO . 0.2 OUTLIER -82.08 142.35 32.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.147 0.499 . . . . 0.0 110.383 -179.146 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 102.04 -45.84 1.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -40.46 96.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.522 ' HE2' ' HB3' ' B' ' 575' ' ' LEU . 0.0 OUTLIER -65.99 -35.14 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.682 178.7 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.481 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.8 OUTLIER -67.11 -39.53 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -43.26 91.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.396 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.624 ' HB3' HG21 ' B' ' 612' ' ' ILE . 2.8 mm-40 -68.29 -34.17 75.68 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.204 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.431 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 9.6 t80 -64.18 -41.68 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.11 -46.28 88.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -17.55 56.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.893 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.527 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 6.5 m-70 -122.51 -140.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.258 0.552 . . . . 0.0 111.157 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . 0.527 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 8.1 p30 175.54 -19.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -116.05 34.88 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.181 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.7 OUTLIER -55.05 -57.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.823 -178.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.535 ' O ' ' HB ' ' B' ' 618' ' ' ILE . 3.0 m-85 -58.28 -45.2 88.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.94 -37.66 80.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.009 0.433 . . . . 0.0 110.55 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -69.8 -41.82 74.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.453 HD12 HG12 ' B' ' 618' ' ' ILE . 35.6 pt -72.56 -9.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 97.92 30.61 7.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.377 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.763 HG21 HD13 ' B' ' 623' ' ' LEU . 1.5 mm -65.33 146.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 122.458 0.303 . . . . 0.0 110.469 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.494 ' N ' HG22 ' B' ' 618' ' ' ILE . 7.4 t70 -65.45 120.39 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.74 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.528 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -64.8 -34.67 78.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.447 -178.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -13.21 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.747 ' HB3' ' HE2' ' B' ' 625' ' ' LYS . 23.6 mtmm -133.39 13.17 4.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.904 0.383 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.763 HD13 HG21 ' B' ' 618' ' ' ILE . 8.3 tp -56.02 -44.02 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.852 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -40.62 93.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.747 ' HE2' ' HB3' ' B' ' 622' ' ' LYS . 1.9 ttpt -62.69 -40.31 96.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.69 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 30.3 m-85 -67.82 -51.29 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -63.79 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.667 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -53.12 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.427 0.632 . . . . 0.0 109.564 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.64 69.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.51 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.4 -50.86 68.65 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.508 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 3.1 mm? -66.75 -42.27 86.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' B' ' 553' ' ' ALA . 19.7 m -61.65 -39.38 91.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 571' ' ' PRO . 42.3 t80 -61.97 -45.89 91.66 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.31 -38.12 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 541' ' ' GLU . 0.4 OUTLIER -62.71 -45.64 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.125 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.579 ' O ' ' HG3' ' B' ' 640' ' ' MET . 20.5 mt -64.68 -47.61 88.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -56.9 -41.85 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.064 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.9 -42.68 89.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.054 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -59.68 -27.12 66.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.958 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' MET . . . . . 0.579 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -68.52 -34.84 76.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.206 0.527 . . . . 0.0 110.006 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -94.72 -6.67 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.152 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.1 tp -68.35 129.57 92.74 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.7 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.455 ' HD2' HG22 ' B' ' 543' ' ' THR . 95.2 Cg_endo -87.4 41.5 0.72 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.024 2.483 . . . . 0.0 111.637 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.754 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.528 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.586 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.1 p90 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.911 0.386 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.35 124.16 27.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.539 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.457 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 14.0 m-85 -90.4 131.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.01 132.12 54.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.755 0.312 . . . . 0.0 111.39 -178.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' THR . . . . . 0.44 HG21 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -82.75 112.38 19.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.341 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' B' ' 542' ' ' TYR . 19.4 tp -96.04 140.15 31.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.528 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.86 121.8 33.8 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.2 mm? -119.36 120.11 35.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -178.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.52 157.98 31.62 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -39.33 35.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.752 0.705 . . . . 0.0 112.36 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.94 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -31.32 50.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.063 0.459 . . . . 0.0 111.244 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -57.01 -50.8 71.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.899 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.589 HG21 ' HG ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -64.83 -36.36 84.07 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.941 0.401 . . . . 0.0 111.806 -178.237 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -65.93 -41.77 90.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 42.0 t -71.48 -42.26 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.154 0.502 . . . . 0.0 111.444 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 638' ' ' GLU . 41.5 t -60.43 -50.89 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.201 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.8 OUTLIER -68.8 -32.54 72.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.195 -178.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.538 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -59.82 -50.28 74.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 110.632 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.649 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 15.0 mt -71.19 -27.19 63.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.726 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.88 77.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.078 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.9 mmt-85 -62.6 -48.44 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 0.0 110.245 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.622 ' HA ' ' HD2' ' A' ' 557' ' ' ARG . 12.4 mt-10 -67.72 -32.91 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.463 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.78 46.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.098 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HE2' HG21 ' A' ' 636' ' ' ILE . 17.9 mttt -76.9 -55.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 0.0 110.22 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 76.9 t -94.34 123.85 57.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.654 ' HG3' ' HB3' ' A' ' 564' ' ' GLN . 82.2 Cg_exo -44.86 126.93 7.88 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.592 2.195 . . . . 0.0 112.832 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . 0.622 ' HD2' ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -131.39 -51.58 1.01 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.486 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -122.53 128.34 50.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.74 14.95 1.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.88 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -43.68 98.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 110.025 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 628' ' ' GLU . 2.9 m -134.54 153.93 79.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.727 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.06 60.66 6.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.97 2.447 . . . . 0.0 111.579 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.452 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -66.7 -28.56 68.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.143 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.654 ' HB3' ' HG3' ' A' ' 556' ' ' PRO . 0.1 OUTLIER -55.44 -39.77 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 111.655 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 581' ' ' ALA . 11.4 p -89.57 -27.42 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.005 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.561 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -65.33 -40.9 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.49 ' HB3' HD13 ' A' ' 636' ' ' ILE . 1.1 p -72.45 -15.06 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -80.94 -10.77 59.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.577 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.77 HG12 ' HD2' ' A' ' 577' ' ' ARG . 1.6 mt -97.11 145.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.582 0.706 . . . . 0.0 112.244 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 572' ' ' THR . 1.0 OUTLIER -107.25 126.11 30.85 Favored Pre-proline 0 N--CA 1.44 -0.944 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.264 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.608 ' HG3' ' HG3' ' A' ' 637' ' ' GLN . 48.2 Cg_endo -66.25 0.74 3.02 Favored 'Trans proline' 0 CA--C 1.521 -0.148 0 C-N-CA 122.634 2.223 . . . . 0.0 111.857 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.445 ' H ' ' C ' ' A' ' 570' ' ' LEU . 69.9 p -80.58 -16.65 53.63 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -101.33 9.72 41.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.016 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 108.65 -156.29 15.76 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.154 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -124.04 -8.49 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.699 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -39.37 68.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.633 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.77 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.78 -37.53 84.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.793 0.33 . . . . 0.0 110.788 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.52 -42.73 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.083 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 575' ' ' LEU . 0.4 OUTLIER -62.67 -44.12 97.06 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.01 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 18.0 m -60.83 -36.25 78.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.47 ' HB3' HG13 ' A' ' 565' ' ' VAL . . . -56.41 -39.97 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.364 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 584' ' ' ALA . 9.2 pt -96.86 8.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.992 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 65.02 39.18 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.444 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.703 ' HB1' ' OH ' ' A' ' 626' ' ' TYR . . . -109.42 47.19 0.94 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.39 -16.84 58.87 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 114.049 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.34 -15.23 16.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.336 0.568 . . . . 0.0 110.809 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 584' ' ' ALA . 1.2 m-20 -75.37 -24.05 57.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.973 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.502 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.08 -24.93 60.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.203 0.525 . . . . 0.0 110.116 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 590' ' ' LEU . 0.8 OUTLIER -59.22 -33.82 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.263 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.362 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 58.2 m-85 -68.03 -42.87 79.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.365 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.38 -40.25 81.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.083 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.54 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.167 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.42 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.1 t30 -80.86 -14.77 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.844 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.25 20.4 35.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.175 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 6.9 mt -95.7 104.57 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.78 10.52 0.29 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.282 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.07 172.02 8.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.071 0.462 . . . . 0.0 112.04 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.7 ptp -80.89 150.2 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.762 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.78 -48.1 3.8 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.82 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.34 -45.25 84.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.49 -46.11 91.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.615 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.51 ' HA ' ' OH ' ' A' ' 634' ' ' TYR . 2.1 mp -65.96 -42.0 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -40.19 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.956 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.535 ' HB3' HG21 ' A' ' 612' ' ' ILE . 8.3 mm-40 -64.81 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.076 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 90.0 t80 -66.53 -38.87 88.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 0.0 110.464 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.17 -44.81 64.76 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -26.99 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.1 m-70 -115.37 -49.82 2.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 81.89 -39.07 0.12 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.775 0.83 . . . . 0.0 111.517 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.31 43.32 1.24 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.508 0.671 . . . . 0.0 110.228 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.5 OUTLIER -56.51 -53.06 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.588 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.449 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.8 m-30 -58.08 -40.21 80.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.488 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -39.71 94.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.297 0.57 . . . . 0.0 110.377 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -42.58 75.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.376 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 596' ' ' ILE . 50.3 pt -70.4 -22.99 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.78 21.51 5.35 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.858 -1.163 . . . . 0.0 114.136 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.5 HG21 ' N ' ' A' ' 619' ' ' ASP . 15.4 mm -66.38 143.94 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.5 ' N ' HG21 ' A' ' 618' ' ' ILE . 8.2 t70 -65.85 127.91 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.938 0.399 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.676 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.32 -28.44 69.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.457 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -10.46 59.07 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 111.306 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.463 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 22.7 mtpt -122.79 -4.82 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 109.654 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.676 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 2.8 tp -54.59 -46.28 73.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.933 -177.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -63.64 -34.47 77.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.942 0.401 . . . . 0.0 111.18 -179.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.703 ' OH ' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-30 -68.52 -49.07 62.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.381 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.491 ' CE2' ' HG ' ' A' ' 623' ' ' LEU . 20.6 m-85 -65.6 -32.27 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.463 ' HB3' HG12 ' A' ' 561' ' ' VAL . 2.5 tp10 -60.96 -51.0 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.887 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.423 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.486 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.0 OUTLIER -58.42 -48.77 79.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.264 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.11 94.96 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.93 89.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.486 ' HA ' HD11 ' A' ' 636' ' ' ILE . 42.6 t80 -59.94 -46.09 90.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.407 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . 0.51 ' OH ' ' HA ' ' A' ' 603' ' ' ILE . 4.4 m-30 -63.66 -37.35 87.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.965 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.649 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -64.86 -44.09 90.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.916 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 640' ' ' MET . 13.1 mt -59.26 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.618 ' HA ' ' HE1' ' A' ' 640' ' ' MET . 0.0 OUTLIER -57.14 -47.06 82.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.82 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.59 ' HB3' HG13 ' A' ' 546' ' ' VAL . 26.1 tp10 -67.11 -38.01 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.078 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.667 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.74 -27.02 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.495 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' MET . . . . . 0.618 ' HE1' ' HA ' ' A' ' 637' ' ' GLN . 8.4 mtt -68.15 -35.76 78.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.08 0.467 . . . . 0.0 109.854 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -6.6 38.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.649 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 2.0 tp -64.4 129.5 94.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.593 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 N--CA 1.462 -0.377 0 C-N-CA 122.795 2.33 . . . . 0.0 112.081 179.429 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.041 0.448 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 158.52 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.825 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.16 137.03 50.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 135.98 51.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.854 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.61 133.1 33.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.816 0.341 . . . . 0.0 111.497 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 7.7 tp -128.74 143.01 50.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.44 HG21 HG21 ' A' ' 534' ' ' THR . 0.0 OUTLIER -92.62 121.88 34.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.25 0.548 . . . . 0.0 110.951 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -119.77 139.93 51.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.397 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.52 154.73 28.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.586 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.01 -42.94 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.47 77.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -80.13 -31.12 39.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.864 0.364 . . . . 0.0 111.29 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.53 ' HA ' HD11 ' B' ' 537' ' ' LEU . 85.4 t80 -57.16 -50.8 71.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.672 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.508 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 2.2 p -60.93 -35.34 76.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.009 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.84 -45.05 83.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.654 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.69 -42.83 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.428 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.8 t -59.64 -51.19 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.911 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' B' ' 550' ' ' ALA . 1.4 mm-40 -70.05 -30.67 67.99 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.01 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.475 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -60.38 -49.15 78.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.145 178.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.684 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 14.3 mt -71.21 -31.35 67.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . 0.484 ' HB3' ' HE3' ' B' ' 554' ' ' LYS . . . -64.1 -32.52 74.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.393 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 548' ' ' PHE . 56.9 mmt-85 -59.44 -49.48 77.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.531 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.479 ' HB3' ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -68.33 -32.54 72.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.643 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.31 -21.93 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.007 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.484 ' HE3' ' HB3' ' B' ' 550' ' ' ALA . 18.5 mtmt -95.34 -52.23 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.729 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.8 t -88.87 130.26 45.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.2 127.16 2.09 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.88 2.387 . . . . 0.0 112.573 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . 0.479 ' HD2' ' HB3' ' B' ' 552' ' ' GLU . 5.6 ttm180 -164.43 -34.77 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.436 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 123.0 29.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 -17.52 18.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' B' ' 624' ' ' SER . 0.1 OUTLIER -63.94 -46.67 83.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.8 p -151.25 131.9 7.31 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.609 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.05 112.38 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.918 2.412 . . . . 0.0 111.512 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.62 -16.25 14.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -44.42 78.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 111.5 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' B' ' 581' ' ' ALA . 11.7 p -72.16 -28.07 28.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.518 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -70.09 -39.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -17.55 61.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.426 0.632 . . . . 0.0 109.933 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -21.06 56.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.298 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.626 HG12 ' HB3' ' B' ' 577' ' ' ARG . 17.1 mt -74.7 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.603 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.577 ' C ' ' H ' ' B' ' 572' ' ' THR . 5.3 tp -86.73 115.41 62.3 Favored Pre-proline 0 N--CA 1.437 -1.11 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.693 ' O ' ' HB2' ' B' ' 599' ' ' MET . 35.7 Cg_endo -65.85 19.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.918 2.412 . . . . 0.0 112.802 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.577 ' H ' ' C ' ' B' ' 570' ' ' LEU . 22.7 p -108.53 -16.13 14.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.056 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -57.79 3.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.81 -127.0 1.6 Allowed Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.86 -3.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.717 0.258 . . . . 0.0 111.188 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -55.29 -45.13 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.616 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.626 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.55 -36.69 85.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.457 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.19 -42.87 99.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.776 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' B' ' 588' ' ' SER . 0.2 OUTLIER -66.26 -40.02 89.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 76.2 m -62.36 -41.24 98.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.112 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.422 ' HB3' HG13 ' B' ' 565' ' ' VAL . . . -55.75 -40.43 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.567 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' B' ' 584' ' ' ALA . 5.9 pt -98.86 4.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.225 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.98 41.82 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.298 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.49 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -108.03 52.42 0.71 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.003 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.04 65.7 3.73 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.978 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -168.85 -35.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.425 ' CB ' ' HH ' ' B' ' 626' ' ' TYR . 1.3 m-20 -74.13 -21.92 59.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.764 ' HB3' HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -57.15 -25.85 59.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.875 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.503 HG11 ' N ' ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.359 179.432 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.503 ' N ' HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.14 -36.3 82.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.783 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 84.0 m-85 -67.86 -43.01 80.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.345 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.98 -36.5 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.075 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.09 99.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.413 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.412 ' HB3' HD11 ' B' ' 596' ' ' ILE . 54.1 t30 -83.16 -10.26 58.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 111.249 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.33 22.9 33.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.087 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 7.5 mt -98.9 87.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.77 0.319 . . . . 0.0 111.521 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.16 18.03 2.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.286 0.565 . . . . 0.0 109.988 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 171.9 13.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.693 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.1 OUTLIER -82.18 153.48 25.96 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.246 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.47 -46.66 3.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.539 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . 0.501 ' OD1' ' HD3' ' B' ' 604' ' ' ARG . 0.6 OUTLIER -57.01 -41.75 79.08 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.671 0.389 . . . . 0.0 111.902 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -47.03 87.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.379 0.609 . . . . 0.0 110.417 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.45 -39.61 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.792 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -60.31 -42.19 95.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.779 178.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.774 ' HB3' HG22 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -65.81 -33.06 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.71 178.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.428 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 70.7 t80 -64.49 -37.22 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 0.0 109.751 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.186 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -75.64 -41.03 55.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.426 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.431 ' C ' ' H ' ' B' ' 611' ' ' ASP . 35.5 m-70 -120.49 -41.42 2.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.62 -38.67 0.32 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.341 0.656 . . . . 0.0 110.794 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 609' ' ' HIS . 0.5 OUTLIER -100.84 35.18 2.25 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.774 HG22 ' HB3' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -49.34 -54.52 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.373 -178.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.404 ' N ' ' HD1' ' B' ' 613' ' ' PHE . 2.1 m-85 -58.01 -43.96 86.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.712 -178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -38.49 88.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.412 0.625 . . . . 0.0 110.163 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -42.75 76.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.659 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.95 -24.06 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . 0.41 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 113.38 29.58 2.92 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.113 -1.041 . . . . 0.0 113.33 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.532 HG21 ' N ' ' B' ' 619' ' ' ASP . 13.0 mm -66.74 146.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.533 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 18.9 t70 -64.42 121.62 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.118 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.5 OUTLIER -61.35 -33.51 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -13.1 62.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.097 0.475 . . . . 0.0 110.784 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.533 ' HD3' ' HB3' ' B' ' 619' ' ' ASP . 22.9 mtpt -113.55 -4.91 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.713 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -55.33 -44.61 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.087 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.586 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -60.51 -48.28 82.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.42 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -34.57 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.387 0.613 . . . . 0.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.425 ' HH ' ' CB ' ' B' ' 587' ' ' ASP . 0.4 OUTLIER -64.14 -53.26 52.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.434 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.41 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.916 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.91 -50.86 72.11 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.189 0.519 . . . . 0.0 109.684 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.2 82.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.061 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . 0.41 ' HD1' ' HA ' ' B' ' 630' ' ' PHE . 0.7 OUTLIER -59.74 -48.95 79.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.97 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.432 ' O ' ' HD2' ' B' ' 635' ' ' ARG . 0.5 OUTLIER -57.61 -44.98 85.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.261 0.553 . . . . 0.0 110.195 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 6.6 m -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.579 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.99 -40.47 97.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.26 -39.98 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.172 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.684 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -69.04 -45.45 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.264 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.63 -43.6 95.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.755 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -47.65 81.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.992 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.5 ' HG2' ' HH ' ' B' ' 542' ' ' TYR . 1.0 OUTLIER -66.99 -36.03 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.144 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.67 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.02 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -30.03 68.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.737 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.5 -5.92 41.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.432 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.508 ' HG ' ' CG2' ' B' ' 543' ' ' THR . 0.9 OUTLIER -65.05 131.86 95.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.188 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.403 ' HD2' HG22 ' B' ' 543' ' ' THR . 73.5 Cg_endo -77.98 69.65 7.38 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.858 2.372 . . . . 0.0 112.009 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.502 ' HB3' ' HE2' ' B' ' 644' ' ' LYS . 8.4 ttpt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.092 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 611' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.798 0 CA-C-O 121.698 0.761 . . . . 0.0 112.545 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' SER . . . . . 0.5 ' HB2' ' CG2' ' B' ' 539' ' ' THR . 1.5 m -157.95 74.8 0.74 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.373 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.16 135.54 38.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.263 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -143.68 126.78 16.47 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' THR . . . . . 0.739 HG22 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -79.57 100.32 7.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.5 tp -83.91 145.34 28.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.215 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.41 121.2 32.17 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 542' ' ' TYR . 2.2 mm? -119.57 126.94 52.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.121 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 157.16 32.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -52.67 -40.46 62.89 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.213 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.62 72.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.484 ' OE2' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -80.62 -27.26 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.513 ' HA ' HD13 ' A' ' 537' ' ' LEU . 87.7 t80 -53.99 -46.02 71.6 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.758 HG21 ' HG ' ' A' ' 642' ' ' LEU . 5.4 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.285 0.564 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -44.83 90.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.84 -43.6 68.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.81 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.503 ' HB ' HD23 ' A' ' 642' ' ' LEU . 51.6 t -59.91 -50.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.063 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.6 OUTLIER -68.66 -32.78 72.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.113 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.547 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -58.76 -50.77 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.3 mt -72.01 -29.03 63.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.175 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.96 79.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -65.72 -44.46 86.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 179.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -33.37 74.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.45 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.112 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 636' ' ' ILE . 21.0 mttt -84.08 -57.31 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.269 0.557 . . . . 0.0 110.356 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.2 119.58 68.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.418 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 13.6 Cg_endo -57.11 128.36 29.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.447 2.098 . . . . 0.0 112.548 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.88 -32.11 3.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.515 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.64 146.26 52.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.152 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -2.66 52.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -62.51 -34.07 76.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.936 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.46 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.3 p -132.83 129.06 21.04 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.8 Cg_exo -74.43 64.71 5.52 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.978 2.452 . . . . 0.0 112.274 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -30.74 65.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.5 ' HG3' ' H ' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -57.11 -47.79 80.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.7 p -73.99 -26.98 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.116 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.475 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.31 -41.63 86.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.631 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -15.02 60.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 109.685 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -80.04 -11.74 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.112 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -94.56 142.13 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.434 178.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.3 OUTLIER -86.04 127.83 60.38 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.544 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.638 ' HB3' ' HE1' ' A' ' 633' ' ' PHE . 37.3 Cg_endo -68.01 17.63 0.14 Allowed 'Trans proline' 0 N--CA 1.471 0.16 0 C-N-CA 122.831 2.354 . . . . 0.0 112.553 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.534 ' H ' ' C ' ' A' ' 570' ' ' LEU . 35.0 p -108.43 -14.25 14.7 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.691 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.27 -61.24 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.9 -150.33 18.65 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.43 -11.87 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.584 0.23 . . . . 0.0 110.774 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.492 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.09 -41.66 75.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.58 -37.59 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' A' ' 629' ' ' ALA . 45.9 t80 -62.25 -47.01 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.237 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -40.91 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.4 m -61.15 -42.35 98.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.578 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.44 ' HB1' ' CG1' ' A' ' 565' ' ' VAL . . . -56.2 -42.57 77.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.689 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.439 HG13 ' HB3' ' A' ' 584' ' ' ALA . 15.9 pt -92.23 8.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.631 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.07 40.83 32.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.962 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.439 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -60.48 -62.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.694 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 91.74 -106.7 3.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.928 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.99 -12.66 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.465 ' HA ' HD21 ' A' ' 590' ' ' LEU . 5.4 m-20 -63.62 -26.42 68.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 0.0 110.84 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.8 OUTLIER -62.16 -26.59 68.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.357 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -63.88 -33.14 60.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.069 0.461 . . . . 0.0 110.525 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 589' ' ' VAL . 1.2 mm? -62.92 -34.35 77.28 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.191 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.543 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 85.0 m-85 -67.48 -43.09 81.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.821 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -31.02 69.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.376 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.71 92.55 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.433 ' HB3' HD13 ' A' ' 596' ' ' ILE . 60.9 t30 -81.22 -10.12 59.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.741 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.0 19.03 37.76 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.123 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 3.6 mt -93.45 92.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.763 0.316 . . . . 0.0 111.173 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.17 6.9 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.929 0.395 . . . . 0.0 110.577 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.58 170.67 12.95 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.251 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.531 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -83.0 160.25 22.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.69 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.37 -48.38 3.8 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.09 -38.83 84.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.37 0.268 . . . . 0.0 111.692 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.11 -43.18 92.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.594 0.235 . . . . 0.0 110.725 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.447 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.7 OUTLIER -68.85 -41.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.223 0.535 . . . . 0.0 109.819 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -60.62 -46.55 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.3 mm-40 -64.9 -34.65 78.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.55 ' CZ ' HD12 ' A' ' 631' ' ' LEU . 1.0 OUTLIER -64.26 -45.25 88.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.734 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.5 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.713 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -21.55 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.805 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.2 m-70 -115.92 -133.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.516 . . . . 0.0 111.303 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.443 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 37.8 t30 170.33 -28.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.211 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.455 ' HA ' ' OH ' ' A' ' 530' ' ' TYR . 23.3 p-10 -114.08 34.94 4.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.943 -1.48 . . . . 0.0 111.37 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 606' ' ' PHE . 0.7 OUTLIER -53.8 -57.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 627' ' ' TYR . 3.0 m-85 -58.87 -39.95 82.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -37.09 84.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.51 0.671 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -42.57 75.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.462 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 45.7 pt -70.9 -25.29 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.584 0.23 . . . . 0.0 111.377 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.474 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.53 32.59 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.31 -0.948 . . . . 0.0 113.853 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 619' ' ' ASP . 18.8 mm -66.3 144.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.096 0.448 . . . . 0.0 110.151 179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.576 ' N ' HG22 ' A' ' 618' ' ' ILE . 2.7 t0 -65.3 121.14 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 110.202 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.539 ' HA ' ' CB ' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -60.5 -27.67 67.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -22.26 66.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.225 0.536 . . . . 0.0 111.101 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 0.3 OUTLIER -125.36 -4.47 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.542 -179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' A' ' 627' ' ' TYR . 1.3 tp -53.69 -45.27 70.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -43.79 97.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.311 0.577 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.54 -37.7 85.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.576 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.3 m-30 -61.58 -45.74 92.83 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.885 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.607 ' HE2' HD13 ' A' ' 623' ' ' LEU . 15.8 m-85 -65.39 -30.88 71.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.553 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.55 -52.21 64.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 578' ' ' PHE . . . -67.97 -35.55 78.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.714 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.71 -50.55 68.72 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.168 0.587 . . . . 0.0 112.223 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.55 HD12 ' CZ ' ' A' ' 606' ' ' PHE . 2.1 mm? -67.1 -45.1 78.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.895 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 71.7 m -59.79 -35.65 75.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.638 ' HE1' ' HB3' ' A' ' 571' ' ' PRO . 29.6 t80 -62.76 -46.39 88.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -61.29 -38.18 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 631' ' ' LEU . 35.5 mtt-85 -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.542 HG22 ' HE2' ' A' ' 554' ' ' LYS . 73.5 mt -61.79 -45.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.96 -45.37 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.214 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.88 -37.7 88.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.767 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.34 -27.79 68.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 19.4 mtt -68.82 -30.07 68.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.633 . . . . 0.0 109.513 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . 0.487 ' HB2' ' HE3' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -96.15 -6.07 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.886 178.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 1.7 tp -74.37 124.0 89.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.487 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.9 Cg_exo . . . . . 0 N--CA 1.458 -0.562 0 C-N-CA 122.939 2.426 . . . . 0.0 110.551 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.653 ' OH ' ' HA ' ' B' ' 611' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.443 -0.824 0 CA-C-O 122.117 0.96 . . . . 0.0 113.324 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 531' ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 58.3 m -146.87 77.05 1.45 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 113.975 -1.466 . . . . 0.0 107.152 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -85.71 127.76 34.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.931 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.47 127.69 54.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.519 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.05 92.96 7.99 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.347 0.594 . . . . 0.0 110.501 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 11.9 tp -84.02 137.71 33.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.395 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.739 HG21 HG22 ' A' ' 534' ' ' THR . 0.0 OUTLIER -89.43 129.8 35.88 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.316 0.579 . . . . 0.0 110.633 -179.18 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.506 HD13 HG23 ' B' ' 545' ' ' VAL . 2.3 mm? -119.56 130.17 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.84 155.11 17.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.5 ' CG2' ' HB2' ' A' ' 531' ' ' SER . 0.2 OUTLIER -34.41 -53.04 0.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.98 76.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . 0.485 ' HB3' HD21 ' A' ' 549' ' ' LEU . 1.3 mt-10 -80.99 -31.21 34.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.475 ' HA ' HD11 ' B' ' 537' ' ' LEU . 90.1 t80 -56.01 -53.01 62.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.614 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.664 HG23 ' HG ' ' B' ' 642' ' ' LEU . 1.2 p -63.47 -37.11 86.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.165 0.507 . . . . 0.0 110.573 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -46.66 77.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.534 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.506 HG23 HD13 ' B' ' 537' ' ' LEU . 60.2 t -71.19 -42.19 75.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.626 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.537 ' HB ' HD21 ' B' ' 642' ' ' LEU . 48.9 t -59.3 -49.33 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.576 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' B' ' 543' ' ' THR . 0.0 OUTLIER -68.01 -40.38 82.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.227 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -57.17 -49.36 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.487 0.184 . . . . 0.0 111.272 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 18.0 mt -71.0 -26.66 63.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.765 0.317 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.88 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.072 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -63.41 -40.01 96.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.25 -32.83 74.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.493 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' B' ' 632' ' ' SER . . . -78.47 -39.58 38.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.46 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 39.7 mttt -66.8 -59.01 3.92 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.307 0.575 . . . . 0.0 109.486 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . 0.459 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 47.1 t -96.63 111.29 56.72 Favored Pre-proline 0 N--CA 1.445 -0.712 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.492 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -42.38 124.16 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.988 2.459 . . . . 0.0 113.278 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 4.5 mpp_? -144.3 9.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.064 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.44 129.74 56.22 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.117 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 559' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -93.8 150.32 20.48 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' B' ' 625' ' ' LYS . 79.0 t90 79.06 -43.32 0.32 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.939 0.775 . . . . 0.0 111.569 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.26 126.06 30.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.81 137.51 53.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.652 2.235 . . . . 0.0 111.777 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -34.17 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.492 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 20.9 tt0 -56.07 -47.59 77.69 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.504 ' O ' HG13 ' B' ' 569' ' ' ILE . 10.3 p -67.01 -31.86 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.47 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.28 -41.27 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.528 0.204 . . . . 0.0 111.516 -178.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.2 p -72.07 -16.52 62.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 110.083 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -80.81 -13.41 58.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.806 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.761 HG12 ' HD2' ' B' ' 577' ' ' ARG . 5.1 mt -90.69 146.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.497 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -99.11 122.71 51.48 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.225 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.557 ' O ' ' HB2' ' B' ' 599' ' ' MET . 20.6 Cg_endo -65.4 7.75 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.731 2.287 . . . . 0.0 111.88 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 570' ' ' LEU . 40.1 p -104.64 -1.04 26.92 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.32 -67.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 175.14 168.8 36.19 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.35 -10.44 54.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.895 0.347 . . . . 0.0 111.321 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -39.72 73.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.39 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.761 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.41 -37.49 83.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.29 -46.79 85.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.241 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' B' ' 579' ' ' LEU . 0.2 OUTLIER -63.39 -40.21 96.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.129 0.49 . . . . 0.0 109.905 179.455 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 63.7 m -63.33 -41.87 98.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.899 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.462 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -57.12 -38.96 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.227 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.423 HG13 ' HB1' ' B' ' 584' ' ' ALA . 1.9 pt -95.41 5.09 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.615 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.7 42.23 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.743 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' B' ' 587' ' ' ASP . . . -61.7 -49.47 76.34 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.295 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 74.4 -111.0 3.26 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.86 -23.38 66.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.512 ' HB2' ' HB3' ' B' ' 584' ' ' ALA . 1.8 m-20 -62.12 -29.25 70.2 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -26.2 68.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.07 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.448 HG13 HD21 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -64.22 -33.54 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' B' ' 587' ' ' ASP . 1.5 mm? -60.69 -36.69 79.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.403 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 57.0 m-85 -68.37 -46.47 69.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -37.11 83.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.59 91.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.826 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.485 ' HB3' HD13 ' B' ' 596' ' ' ILE . 5.1 t-20 -82.39 -11.54 58.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.322 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.42 13.6 44.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.301 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' B' ' 594' ' ' ASN . 3.6 mt -97.0 92.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.119 0.485 . . . . 0.0 110.58 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.67 -3.6 4.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.379 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.53 171.67 7.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.47 0.652 . . . . 0.0 112.3 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.32 160.97 22.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.713 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.5 -41.49 1.87 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.848 -0.614 . . . . 0.0 113.054 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.39 -43.64 79.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.891 0.476 . . . . 0.0 111.635 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -41.87 94.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.0 OUTLIER -68.4 -40.12 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.301 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 604' ' ' ARG . 1.7 ttm105 -64.79 -46.67 81.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.719 ' HB3' HG21 ' B' ' 612' ' ' ILE . 6.7 mm-40 -61.14 -33.33 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.015 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.535 ' HZ ' HD11 ' B' ' 631' ' ' LEU . 82.5 t80 -67.24 -39.72 86.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.956 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 65.1 mt-10 -73.52 -41.08 63.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -36.72 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.687 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 1.8 m-70 -109.43 -58.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 81.13 -19.3 0.44 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.843 0.714 . . . . 0.0 110.061 -178.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.653 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 8.7 p-10 -114.88 30.47 7.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.48 0.657 . . . . 0.0 110.036 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.719 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -55.96 -57.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.642 -178.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.453 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.3 m-85 -57.53 -37.62 73.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.848 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.17 -38.73 82.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 109.94 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -42.32 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.562 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' B' ' 613' ' ' PHE . 45.0 pt -71.7 -25.2 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.18 31.65 2.8 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 119.944 -1.122 . . . . 0.0 113.979 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.585 HG22 ' N ' ' B' ' 619' ' ' ASP . 17.1 mm -66.45 145.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.585 ' N ' HG22 ' B' ' 618' ' ' ILE . 36.7 t0 -65.32 120.39 12.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -27.58 67.19 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -19.17 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.659 0.266 . . . . 0.0 111.122 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HB2' ' HE2' ' B' ' 622' ' ' LYS . 6.6 mtmm -125.83 -8.54 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.518 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' B' ' 627' ' ' TYR . 0.3 OUTLIER -53.29 -44.77 68.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.484 0.714 . . . . 0.0 112.422 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -43.24 93.37 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.084 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.561 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.85 -38.44 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.756 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.438 ' HH ' ' CG ' ' B' ' 587' ' ' ASP . 2.2 m-30 -61.27 -47.76 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.714 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.553 ' HE2' HD13 ' B' ' 623' ' ' LEU . 27.3 m-85 -64.91 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.74 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.89 -49.15 78.85 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.61 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.174 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -49.41 72.81 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.292 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.535 HD11 ' HZ ' ' B' ' 606' ' ' PHE . 2.5 mm? -64.55 -43.97 92.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.825 0.345 . . . . 0.0 110.701 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.512 ' HB3' ' HB1' ' B' ' 553' ' ' ALA . 15.6 m -62.69 -40.84 98.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.129 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.6 OUTLIER -65.35 -41.8 93.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.892 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -60.11 -38.28 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -42.82 97.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.065 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 633' ' ' PHE . 60.5 mt -61.78 -44.62 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -44.19 81.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.112 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.535 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.54 -35.19 65.51 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.829 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.98 -26.06 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -66.51 -30.78 71.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 0.0 109.864 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -6.15 40.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' B' ' 543' ' ' THR . 3.3 tp -67.22 128.22 93.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.152 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 6.7 Cg_exo -72.25 -75.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 0.0 111.073 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.007 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.639 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.863 0 CA-C-O 121.405 0.621 . . . . 0.0 111.601 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.44 129.75 42.08 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.255 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.514 ' CE1' HD21 ' A' ' 631' ' ' LEU . 77.4 m-85 -100.73 129.22 46.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.101 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.64 134.02 49.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.095 0.474 . . . . 0.0 111.899 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.05 96.51 8.53 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' B' ' 634' ' ' TYR . 32.2 tp -91.37 142.51 27.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.687 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.83 120.86 32.92 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.7 OUTLIER -118.92 136.97 53.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.76 -177.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -79.8 155.54 27.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -37.56 64.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -177.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -80.74 -27.63 36.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.089 0.471 . . . . 0.0 111.494 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 537' ' ' LEU . 83.4 t80 -53.66 -47.68 70.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.678 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.428 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -64.83 -34.43 78.35 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -43.62 83.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.21 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.625 HG11 HG13 ' B' ' 545' ' ' VAL . 97.8 t -71.13 -43.9 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.631 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.576 ' HB ' HD22 ' A' ' 642' ' ' LEU . 54.6 t -60.04 -50.28 80.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.955 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -66.99 -32.51 73.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.471 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.559 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.2 t80 -60.01 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 6.9 mt -72.11 -30.5 65.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.293 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.93 -35.44 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 6.3 mmt85 -64.55 -40.22 95.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.594 ' HA ' HH12 ' A' ' 557' ' ' ARG . 2.8 mm-40 -64.08 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.114 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.591 ' HA ' HG23 ' A' ' 563' ' ' THR . . . -78.09 -26.12 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.537 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.538 ' HE2' HG23 ' A' ' 636' ' ' ILE . 13.1 mttm -78.9 -54.99 5.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.362 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 93.0 t -86.46 125.02 68.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.35 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.91 128.1 25.5 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.789 2.326 . . . . 0.0 112.037 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . 0.594 HH12 ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -154.97 -36.64 0.09 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.7 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . 0.454 ' HB3' HG12 ' A' ' 561' ' ' VAL . 12.4 m-30 -84.77 123.96 31.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -12.21 19.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.819 0.342 . . . . 0.0 111.752 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -89.27 -42.18 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.348 0.594 . . . . 0.0 110.058 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' A' ' 558' ' ' TYR . 1.5 p -113.29 119.22 42.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.802 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.64 103.6 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.025 2.483 . . . . 0.0 111.848 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.591 HG23 ' HA ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -102.05 -42.15 6.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.08 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.418 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.66 -48.34 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 581' ' ' ALA . 14.6 p -67.01 -30.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.508 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -70.4 -39.47 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -14.43 61.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.306 0.574 . . . . 0.0 110.079 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -16.85 49.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.914 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -89.86 145.55 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.52 . . . . 0.0 111.263 -179.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.601 ' O ' ' HG2' ' A' ' 573' ' ' GLU . 0.5 OUTLIER -86.07 126.55 64.98 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.715 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.529 ' HD2' HD11 ' A' ' 570' ' ' LEU . 37.2 Cg_endo -67.45 13.61 0.16 Allowed 'Trans proline' 0 C--N 1.335 -0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.504 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 80.8 p -99.84 -16.2 18.13 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.839 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -80.25 -39.63 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.29 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 141.94 -137.79 8.18 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 579' ' ' LEU . 0.2 OUTLIER -126.29 -5.51 6.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.851 0.326 . . . . 0.0 110.581 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -45.02 76.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.528 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -36.77 81.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.007 0.432 . . . . 0.0 110.238 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 575' ' ' LEU . 54.2 t80 -59.57 -44.28 93.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.834 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 575' ' ' LEU . 0.4 OUTLIER -66.41 -38.96 88.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.639 178.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.44 -38.11 83.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.703 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 565' ' ' VAL . . . -57.15 -42.97 82.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.541 HG13 ' HB1' ' A' ' 584' ' ' ALA . 25.8 pt -94.01 8.63 5.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.657 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 63.92 39.76 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.377 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.643 ' HB3' ' OH ' ' A' ' 626' ' ' TYR . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.41 89.55 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.25 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -73.87 -22.12 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 584' ' ' ALA . 3.1 m-20 -74.16 -25.33 59.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.01 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -26.43 64.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -33.81 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.528 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 587' ' ' ASP . 1.3 mm? -62.34 -38.07 88.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.533 0.682 . . . . 0.0 109.479 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.448 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 70.3 m-85 -68.11 -42.98 79.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.433 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -56.8 -41.41 77.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.97 93.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.306 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.417 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.2 t30 -81.55 -12.71 58.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.09 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.85 13.97 53.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.321 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.448 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 6.6 mt -94.67 107.79 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -165.4 20.03 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.898 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.63 173.04 9.26 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.549 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.06 128.82 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.871 -179.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.5 -31.85 3.47 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.568 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.62 96.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.181 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.435 ' HB3' HD22 ' A' ' 575' ' ' LEU . 0.0 OUTLIER -66.41 -39.24 88.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.013 0.435 . . . . 0.0 110.565 178.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.428 HD11 ' SD ' ' A' ' 602' ' ' MET . 1.7 mt -67.8 -40.7 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 604' ' ' ARG . 4.2 ttp180 -62.91 -44.82 95.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -61.17 -36.27 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.297 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 20.6 t80 -65.57 -46.81 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.48 -33.63 73.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -75.03 -27.78 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.51 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 5.3 m-70 -120.82 -132.42 0.3 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.954 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.51 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.9 p30 168.63 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.597 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 31.8 p-10 -110.14 29.26 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -53.19 -56.12 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.388 -178.742 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -59.34 -40.18 85.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.122 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . 0.516 ' HG2' HD23 ' A' ' 623' ' ' LEU . 3.0 mt-10 -66.67 -36.94 83.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.282 0.563 . . . . 0.0 110.148 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.38 76.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.631 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.5 -22.39 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.33 31.47 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 119.884 -1.15 . . . . 0.0 113.632 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 623' ' ' LEU . 19.0 mm -66.94 147.54 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 618' ' ' ILE . 15.4 t70 -63.26 120.44 11.56 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.307 0.575 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -66.35 -31.39 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.63 -177.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -64.79 -15.44 61.7 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.112 -0.368 . . . . 0.0 111.777 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -129.64 2.95 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.658 HD11 HG22 ' A' ' 618' ' ' ILE . 11.2 tp -53.17 -37.26 61.74 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.144 0.578 . . . . 0.0 112.436 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.37 91.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.122 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -35.97 79.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.643 ' OH ' ' HB3' ' A' ' 584' ' ' ALA . 1.9 m-85 -62.42 -46.84 86.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.783 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.597 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 17.9 m-85 -65.84 -34.03 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.617 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.3 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.531 . . . . 0.0 110.359 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.88 78.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -49.32 78.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.405 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.514 HD21 ' CE1' ' A' ' 532' ' ' PHE . 0.2 OUTLIER -64.95 -43.34 93.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.7 m -58.59 -43.83 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.372 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 571' ' ' PRO . 19.0 t80 -61.98 -46.18 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.809 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -63.35 -38.26 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 635' ' ' ARG . 0.0 OUTLIER -60.58 -45.24 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 110.348 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.538 HG23 ' HE2' ' A' ' 554' ' ' LYS . 24.1 mt -63.18 -46.4 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.71 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -43.78 81.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.409 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -35.48 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -69.19 -24.96 64.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.348 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -33.57 75.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.9 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -95.85 -5.81 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.269 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 5.7 tp -71.65 128.16 90.08 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.955 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 N--CA 1.454 -0.796 0 C-N-CA 123.155 2.57 . . . . 0.0 112.234 179.155 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.804 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.2 152.97 44.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.362 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -106.15 136.39 45.93 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.736 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -130.72 143.03 50.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.422 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.82 134.78 34.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.885 0.374 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 542' ' ' TYR . 11.1 tp -119.71 135.93 54.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.53 119.9 32.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.082 0.467 . . . . 0.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -122.17 142.71 50.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.786 -179.64 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 155.56 26.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.639 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -56.97 -40.96 77.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.92 70.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -78.74 -29.24 45.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.53 ' HA ' HD13 ' B' ' 537' ' ' LEU . 90.8 t80 -56.05 -49.64 73.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.91 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.702 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.08 -35.21 74.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -67.87 -41.27 83.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.625 HG13 HG11 ' A' ' 545' ' ' VAL . 92.7 t -69.24 -43.59 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 642' ' ' LEU . 57.3 t -59.73 -50.82 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.975 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -62.26 -38.19 88.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.7 179.62 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -58.36 -47.71 82.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.493 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -72.31 -33.02 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.656 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.9 mmt85 -64.13 -45.42 88.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.452 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -67.81 -33.15 74.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.312 0.577 . . . . 0.0 110.402 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' B' ' 632' ' ' SER . . . -77.22 -38.99 50.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.84 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 51.5 mttt -74.1 -52.22 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.28 111.38 51.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 1.001 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 84.9 Cg_exo -37.41 125.43 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.639 2.893 . . . . 0.0 114.207 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.59 10.02 0.94 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.909 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . 0.582 ' HB3' HG13 ' B' ' 561' ' ' VAL . 72.3 m-85 -135.5 124.42 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.062 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.75 -20.28 16.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -84.45 -40.15 18.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 0.0 110.058 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' B' ' 558' ' ' TYR . 1.5 p -111.11 124.02 33.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.669 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.84 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 36.4 Cg_exo -57.73 108.38 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.16 2.573 . . . . 0.0 112.556 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.76 -43.74 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.789 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 1.001 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 0.9 OUTLIER -56.1 -50.54 70.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.111 -178.259 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.429 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -68.99 -29.62 43.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.5 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.16 -40.82 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.382 -179.025 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.488 ' HB3' HD12 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.9 -14.92 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.384 0.611 . . . . 0.0 110.249 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -18.84 43.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.895 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.612 HG22 ' HB3' ' B' ' 577' ' ' ARG . 23.4 mt -76.07 135.85 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.286 0.565 . . . . 0.0 111.678 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.58 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -86.97 119.81 71.25 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.533 ' O ' ' HB2' ' B' ' 599' ' ' MET . 39.3 Cg_endo -67.79 23.34 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.195 0 C-N-CA 123.038 2.492 . . . . 0.0 112.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 570' ' ' LEU . 54.6 p -109.37 -16.21 14.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.952 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.45 -51.87 7.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.992 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 149.12 -139.07 7.24 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' B' ' 602' ' ' MET . 0.3 OUTLIER -116.45 -7.02 11.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.833 0.317 . . . . 0.0 110.834 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -45.97 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.002 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.612 ' HB3' HG22 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -65.44 -36.89 85.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.69 0.281 . . . . 0.0 110.251 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.41 -42.27 98.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.721 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -66.78 -45.53 78.19 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.39 -38.53 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.323 0.582 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.413 ' HB1' HG21 ' B' ' 565' ' ' VAL . . . -56.92 -46.07 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.884 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.84 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 8.8 pt -89.38 7.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 63.13 39.27 10.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' B' ' 579' ' ' LEU . . . -100.43 45.95 0.97 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.684 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.66 59.66 2.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.914 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -170.4 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.629 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.34 -22.23 60.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.809 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.502 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.33 -25.49 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.708 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.618 HG13 ' N ' ' B' ' 590' ' ' LEU . 0.7 OUTLIER -60.71 -33.61 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.159 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.618 ' N ' HG13 ' B' ' 589' ' ' VAL . 1.3 mm? -66.07 -39.41 90.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.788 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.502 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 82.6 m-85 -67.46 -43.9 79.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.446 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -37.41 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.15 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.59 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.349 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -79.48 -12.01 59.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.126 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.02 19.93 34.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.388 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.451 HG23 HD21 ' B' ' 575' ' ' LEU . 6.4 mt -101.15 94.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.564 0.221 . . . . 0.0 111.293 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.74 8.96 2.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 167.39 10.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.388 0.613 . . . . 0.0 112.219 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.533 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.49 144.47 29.53 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.957 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.47 -33.63 2.52 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.518 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.91 -41.44 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.577 ' HG2' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.74 -44.86 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.62 -40.11 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.023 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.16 94.56 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.409 ' CD ' ' HZ1' ' B' ' 608' ' ' LYS . 0.3 OUTLIER -68.19 -33.7 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 55.3 t80 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.249 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -40.85 95.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . 0.409 ' HZ1' ' CD ' ' B' ' 605' ' ' GLU . 4.9 mtmt -77.72 -15.26 59.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 6.5 m-70 -130.81 -136.97 0.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 111.642 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 6.1 p30 171.27 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.662 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 31.6 p-10 -111.13 27.58 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.885 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -53.54 -55.78 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.164 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -59.14 -40.05 84.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.118 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.39 88.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.084 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -41.95 95.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.41 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.511 HD13 HD13 ' B' ' 618' ' ' ILE . 46.1 pt -72.89 -22.23 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.7 28.52 3.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.21 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.636 HG21 HD13 ' B' ' 623' ' ' LEU . 22.9 mm -67.18 146.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 117.217 0.508 . . . . 0.0 110.0 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.427 ' CG ' ' HG ' ' B' ' 621' ' ' SER . 16.7 t70 -66.21 121.5 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.562 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -60.26 -30.47 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 621' ' ' SER . . . . . 0.427 ' HG ' ' CG ' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -66.0 -16.87 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.322 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 22.5 mtpt -122.45 -6.88 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.857 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.636 HD13 HG21 ' B' ' 618' ' ' ILE . 16.3 tp -52.91 -41.96 64.91 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -45.63 90.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -36.22 83.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.475 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 1.9 m-30 -63.26 -47.61 81.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.705 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.662 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 21.1 m-85 -65.07 -35.44 81.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.343 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.017 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . 0.419 ' HD1' ' HA ' ' B' ' 630' ' ' PHE . 0.1 OUTLIER -57.93 -49.02 78.19 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.539 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -44.25 95.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.458 ' HB3' ' HB3' ' B' ' 553' ' ' ALA . 15.5 m -60.34 -46.93 88.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.769 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . 0.537 ' HE2' HD13 ' A' ' 535' ' ' LEU . 19.3 t80 -60.42 -37.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.722 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.736 ' NE ' ' HA ' ' B' ' 635' ' ' ARG . 4.0 mmp_? -73.08 -44.47 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.527 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.587 HG22 ' HE1' ' B' ' 640' ' ' MET . 56.6 mt -60.12 -46.72 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -46.96 81.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.472 -178.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.75 -35.5 70.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.639 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.621 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.22 -26.98 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.95 0.405 . . . . 0.0 111.153 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 640' ' ' MET . . . . . 0.587 ' HE1' HG22 ' B' ' 636' ' ' ILE . 24.5 mtt -69.76 -33.91 73.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.275 0.56 . . . . 0.0 109.889 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -6.01 41.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.113 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.702 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.3 tp -62.24 127.37 89.54 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.907 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.16 44.36 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.123 2.549 . . . . 0.0 110.691 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . 0.611 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.253 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 627' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.109 0.48 . . . . 0.0 111.334 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.37 140.1 36.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 36.7 m-85 -88.71 134.35 33.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.108 0.48 . . . . 0.0 111.191 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 533' ' ' ARG . 0.0 OUTLIER -123.42 128.44 49.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.818 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 135.0 49.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.14 0.495 . . . . 0.0 111.312 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.2 tp -125.39 150.54 47.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.516 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.182 0.515 . . . . 0.0 110.276 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 542' ' ' TYR . 0.6 OUTLIER -120.17 140.74 50.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.203 -178.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.439 ' HB2' ' OH ' ' B' ' 530' ' ' TYR . 0.1 OUTLIER -79.95 158.31 26.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.84 87.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.43 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.82 -30.5 64.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 538' ' ' SER . 62.6 t80 -56.55 -51.18 69.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.4 HG23 ' HG ' ' A' ' 642' ' ' LEU . 1.0 OUTLIER -67.48 -34.31 76.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.982 0.42 . . . . 0.0 110.91 -179.426 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.79 89.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.064 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.45 -43.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.795 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.536 ' HB ' HD23 ' A' ' 642' ' ' LEU . 55.6 t -59.78 -49.38 84.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.064 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.59 -33.84 74.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.0 t80 -60.12 -49.93 75.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.735 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 14.3 mt -71.47 -27.76 63.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.44 76.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.109 0.48 . . . . 0.0 109.867 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 19.9 mmt180 -67.71 -41.9 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.975 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.42 -32.7 74.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.529 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.591 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -78.66 -25.71 44.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.891 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -80.03 -45.25 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.132 0.491 . . . . 0.0 111.586 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 2.5 m -103.51 162.1 21.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.378 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 10.4 Cg_endo -58.52 127.08 23.29 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 108.902 -1.23 . . . . 0.0 108.902 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 -20.47 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.82 157.18 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.89 28.75 8.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.272 -178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.489 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.0 t -121.54 122.95 27.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.457 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.598 ' HB2' HG12 ' A' ' 565' ' ' VAL . 2.7 Cg_exo -75.99 79.1 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.052 2.502 . . . . 0.0 111.479 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.591 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.6 OUTLIER -66.85 -34.27 77.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.992 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -49.92 73.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.676 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 562' ' ' PRO . 9.3 p -68.28 -32.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.626 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.515 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.54 -41.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.416 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.3 OUTLIER -71.95 -19.86 61.83 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.428 0.632 . . . . 0.0 109.589 179.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.79 -20.09 47.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.589 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.829 HG22 ' HB3' ' A' ' 577' ' ' ARG . 59.8 mt -74.48 137.6 22.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.18 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.561 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -91.87 117.88 67.97 Favored Pre-proline 0 C--N 1.314 -0.978 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.586 ' O ' ' HB2' ' A' ' 599' ' ' MET . 55.5 Cg_endo -69.15 22.55 0.15 Allowed 'Trans proline' 0 N--CA 1.471 0.166 0 C-N-CA 123.088 2.525 . . . . 0.0 111.915 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' A' ' 570' ' ' LEU . 50.1 p -109.68 -13.27 14.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.221 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -30.58 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.82 -148.31 19.96 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 602' ' ' MET . 0.2 OUTLIER -117.86 -5.01 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 110.384 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -43.24 76.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.431 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.829 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.98 -37.39 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.96 -43.61 98.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.115 0.484 . . . . 0.0 109.847 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.2 m -64.02 -39.59 94.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.705 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.451 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -57.46 -41.62 80.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.599 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.482 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.7 pt -91.81 5.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.03 39.17 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.646 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.482 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -59.09 -65.4 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.655 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 104.78 -108.8 3.17 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.863 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.09 1.96 54.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.483 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 4.6 m-20 -63.87 -24.31 67.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -26.0 64.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.555 HG11 ' N ' ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.12 -33.72 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.032 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.555 ' N ' HG11 ' A' ' 589' ' ' VAL . 1.1 mm? -66.17 -39.51 89.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.558 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 70.5 m-85 -68.04 -44.2 76.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.356 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.0 -38.42 82.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.211 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.67 88.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.126 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -83.9 -12.0 56.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.243 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 96.13 4.59 59.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.996 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 591' ' ' PHE . 5.8 mt -85.42 81.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -134.33 30.17 3.58 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.113 0.482 . . . . 0.0 110.253 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.82 170.77 13.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.524 0.678 . . . . 0.0 112.597 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -83.47 135.93 34.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.21 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.6 -25.05 4.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.714 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.93 93.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.677 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.667 ' HB3' HD21 ' A' ' 575' ' ' LEU . 0.0 OUTLIER -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.635 -179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.408 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.8 mt -68.08 -41.44 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.183 0.516 . . . . 0.0 110.036 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.2 OUTLIER -63.26 -46.33 87.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.517 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 13.0 mm-40 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.851 0.358 . . . . 0.0 110.204 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 612' ' ' ILE . 9.5 t80 -66.26 -38.8 88.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.016 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.3 -42.42 99.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 604' ' ' ARG . 0.1 OUTLIER -78.61 -28.07 45.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.778 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 11.1 m-70 -116.28 -144.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.663 0.744 . . . . 0.0 112.948 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -176.6 -29.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.324 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -105.43 33.1 3.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.174 -1.375 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -56.38 -63.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.757 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -58.41 -39.61 80.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -41.93 99.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.219 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.9 pt -67.49 -24.31 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.68 29.11 3.47 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.605 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 619' ' ' ASP . 20.2 mm -66.48 146.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.602 ' N ' HG22 ' A' ' 618' ' ' ILE . 10.8 t70 -64.88 132.73 50.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.208 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.516 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -67.86 -28.47 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -12.41 60.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.198 0.523 . . . . 0.0 110.634 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 29.4 mtpt -120.82 -4.44 9.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.275 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.0 tp -53.87 -45.06 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.345 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -47.68 83.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.614 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -64.28 -37.51 87.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.0 m-85 -64.8 -49.91 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . 0.424 ' HB3' ' CD1' ' A' ' 530' ' ' TYR . 10.2 m-85 -65.7 -32.37 73.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.22 -51.14 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.436 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.11 78.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.384 0.611 . . . . 0.0 110.932 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . 0.407 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.3 OUTLIER -57.37 -48.77 78.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.108 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -38.57 85.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.05 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.03 99.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 110.706 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.422 ' HA ' HD11 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -60.44 -46.08 91.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.26 -37.23 84.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.735 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -59.27 -45.42 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.518 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 633' ' ' PHE . 8.3 mt -64.94 -48.95 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.805 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -58.02 -47.22 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.697 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 0.1 OUTLIER -68.09 -35.76 78.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.652 0.263 . . . . 0.0 111.092 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 110.82 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.71 -30.13 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.37 0.605 . . . . 0.0 109.696 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -5.69 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.759 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.536 HD23 ' HB ' ' A' ' 546' ' ' VAL . 1.6 tp -61.8 130.41 92.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo . . . . . 0 C--N 1.344 0.314 0 C-N-CA 122.976 2.451 . . . . 0.0 112.043 179.444 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.439 ' OH ' ' HB2' ' A' ' 538' ' ' SER . 4.1 t80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.9 m -94.04 131.55 39.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.57 145.08 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.261 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -131.89 126.67 34.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.145 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.51 34.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.017 0.437 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -113.29 143.69 44.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 532' ' ' PHE . 0.9 OUTLIER -92.36 128.44 38.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.2 OUTLIER -119.83 125.54 48.8 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.253 -178.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -75.8 157.05 33.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.067 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -50.15 62.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.59 71.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.3 -28.88 65.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.508 ' HA ' HD13 ' B' ' 537' ' ' LEU . 89.3 t80 -55.36 -51.39 66.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.259 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 543' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.96 80.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.996 0.427 . . . . 0.0 110.899 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -67.61 -44.69 77.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.78 -43.34 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.383 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.518 ' HB ' HD22 ' B' ' 642' ' ' LEU . 55.3 t -59.91 -50.34 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -67.3 -35.95 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.146 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.562 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.3 t80 -58.84 -50.89 72.3 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.644 0.259 . . . . 0.0 110.959 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.827 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 9.4 mt -71.84 -28.26 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.629 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 12.5 mmt85 -67.1 -42.91 83.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.697 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.9 -39.14 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.741 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.905 ' HA ' HG23 ' B' ' 563' ' ' THR . . . -77.31 -23.51 51.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.358 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 7.3 mttt -77.04 -24.98 52.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.407 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 6.7 m -115.15 158.93 39.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -73.35 124.27 9.31 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 N-CA-C 108.806 -1.267 . . . . 0.0 108.806 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 16.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.466 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -112.15 149.95 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.486 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.6 7.57 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.35 118.17 65.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . 0.781 ' HB2' HG13 ' B' ' 565' ' ' VAL . 56.6 Cg_endo -70.16 83.28 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.16 2.573 . . . . 0.0 111.165 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 563' ' ' THR . . . . . 0.905 HG23 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -68.93 -44.81 72.32 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.743 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -57.84 -50.22 74.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' B' ' 562' ' ' PRO . 7.5 p -69.26 -33.86 60.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.485 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.544 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.0 OUTLIER -67.45 -41.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.456 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.3 p -74.18 -14.2 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.492 0.663 . . . . 0.0 110.166 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.68 -15.61 44.7 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.208 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 565' ' ' VAL . 5.8 mt -80.3 140.73 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.52 HD11 ' HD2' ' B' ' 571' ' ' PRO . 0.3 OUTLIER -92.18 121.9 65.83 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.113 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.52 ' HD2' HD11 ' B' ' 570' ' ' LEU . 61.6 Cg_endo -70.97 21.7 0.21 Allowed 'Trans proline' 0 C--O 1.224 -0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.598 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.489 ' H ' ' C ' ' B' ' 570' ' ' LEU . 46.3 p -108.12 -17.06 14.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.943 0.401 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.29 -39.45 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 152.01 -152.12 23.91 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.28 -12.65 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.917 0.358 . . . . 0.0 110.483 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.45 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.479 HH11 HG22 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.63 -36.74 83.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.69 0.281 . . . . 0.0 110.429 178.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.41 ' HE1' ' HB2' ' B' ' 629' ' ' ALA . 14.8 t80 -64.56 -40.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -43.85 96.02 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.6 m -61.15 -41.39 96.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.878 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.429 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -56.5 -46.27 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.499 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.513 HG13 ' HB1' ' B' ' 584' ' ' ALA . 4.5 pt -85.42 4.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.099 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.92 38.06 24.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.256 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' B' ' 582' ' ' ILE . . . -63.28 -62.27 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.41 -110.25 2.68 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.381 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.49 14.81 26.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.523 ' CG ' ' HH ' ' B' ' 626' ' ' TYR . 1.9 m-20 -63.01 -23.92 67.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.212 0.529 . . . . 0.0 109.856 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.52 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.18 -25.25 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.518 178.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.446 HG11 HD23 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.35 -33.83 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.116 179.483 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.446 HD23 HG11 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -66.21 -38.97 89.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.539 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 91.7 m-85 -67.88 -43.24 79.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.258 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.49 80.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.239 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.42 87.37 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.082 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.49 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.9 t30 -80.92 -12.49 59.39 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.076 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.18 15.82 46.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.836 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 3.7 mt -98.08 95.73 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 111.086 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -148.25 15.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.09 174.01 10.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.527 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -79.63 147.76 31.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.373 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.26 -32.66 2.77 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.973 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -45.04 95.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.74 95.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.541 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 2.1 mt -68.29 -40.09 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.024 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -60.28 -46.83 88.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.422 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.602 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -64.34 -34.86 79.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -66.6 -38.81 87.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.387 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 54.5 mt-10 -66.98 -42.47 85.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.702 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -77.28 -26.91 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.149 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.489 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 21.7 m-70 -126.25 -138.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.362 0.601 . . . . 0.0 112.01 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . 0.489 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 13.0 p30 174.27 -21.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.461 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -103.44 23.89 11.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.212 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -52.9 -57.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.27 -40.67 82.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.761 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . 0.864 ' HG3' HD22 ' B' ' 623' ' ' LEU . 0.8 OUTLIER -66.24 -38.97 89.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.29 0.567 . . . . 0.0 110.219 178.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 615' ' ' ARG . 1.7 ttt85 -66.26 -42.78 88.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.566 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.2 pt -70.96 -23.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.1 28.39 3.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.027 -1.083 . . . . 0.0 113.763 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.573 HG23 ' N ' ' B' ' 619' ' ' ASP . 19.4 mm -65.9 146.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.573 ' N ' HG23 ' B' ' 618' ' ' ILE . 6.2 t70 -64.76 127.81 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.495 . . . . 0.0 110.96 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.74 69.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.799 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -6.89 49.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.819 0.342 . . . . 0.0 111.665 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.572 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 25.6 mtpt -122.66 -6.97 8.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.864 HD22 ' HG3' ' B' ' 614' ' ' GLU . 8.0 tp -54.52 -46.01 73.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -48.15 83.08 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.488 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.15 -35.87 82.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.089 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.572 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 3.3 m-30 -66.55 -50.14 64.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.413 ' CE2' ' HG ' ' B' ' 623' ' ' LEU . 8.9 m-85 -63.89 -33.94 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.764 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.25 -51.53 68.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.41 ' HB2' ' HE1' ' B' ' 578' ' ' PHE . . . -67.88 -36.01 79.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.692 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -48.74 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' B' ' 631' ' ' LEU . 1.7 mm? -64.96 -44.48 89.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.042 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 4.5 m -62.34 -41.77 98.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.307 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' B' ' 636' ' ' ILE . 27.8 t80 -62.27 -44.63 96.1 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.004 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.08 -40.11 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.827 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.3 OUTLIER -60.2 -44.94 94.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 633' ' ' PHE . 22.4 mt -59.92 -47.02 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 109.93 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.511 ' OE1' ' HG3' ' B' ' 571' ' ' PRO . 20.4 tp60 -59.95 -42.83 94.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -36.35 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.346 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.11 -24.52 67.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.47 -32.92 74.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 0.0 109.525 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . 0.429 ' HZ2' ' HG2' ' B' ' 641' ' ' LYS . 0.0 OUTLIER -92.77 -10.29 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.079 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.652 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 5.1 tp -71.2 128.29 90.51 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.388 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.27 58.83 7.18 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.761 2.307 . . . . 0.0 111.292 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.103 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.925 0.393 . . . . 0.0 110.494 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 129.25 35.43 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.286 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.34 129.53 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.533 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . 0.437 HH11 ' HB3' ' A' ' 533' ' ' ARG . 0.6 OUTLIER -121.7 126.42 48.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.051 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.61 111.57 16.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.372 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.7 tp -101.88 134.87 44.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.36 120.66 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.87 0.367 . . . . 0.0 110.543 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 542' ' ' TYR . 0.3 OUTLIER -121.34 143.99 48.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.962 -179.295 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.427 ' HA ' ' HD1' ' B' ' 532' ' ' PHE . 0.1 OUTLIER -81.19 155.55 26.1 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -39.16 81.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.8 76.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.25 -28.41 38.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.744 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.521 ' HA ' HD13 ' A' ' 537' ' ' LEU . 87.6 t80 -54.67 -46.79 74.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.857 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.536 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.34 -35.68 81.18 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.03 0.443 . . . . 0.0 111.72 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -42.95 94.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 537' ' ' LEU . 38.7 t -71.64 -42.4 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.795 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.495 ' HB ' HD22 ' A' ' 642' ' ' LEU . 43.5 t -60.6 -49.34 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.109 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 1.2 mm-40 -67.14 -33.57 75.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.184 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.55 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -60.11 -49.11 78.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.237 0.542 . . . . 0.0 110.14 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.5 mt -72.06 -26.33 62.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.638 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.37 80.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.7 mmt180 -63.27 -45.28 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.491 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.446 ' HB1' HD12 ' A' ' 636' ' ' ILE . . . -78.27 -21.16 50.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -83.54 -42.44 16.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.482 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.13 127.47 53.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.476 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.729 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 15.4 Cg_endo -56.83 127.33 25.4 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.035 1.823 . . . . 0.0 112.161 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -164.67 21.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.492 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . 0.413 ' HB3' HG13 ' A' ' 561' ' ' VAL . 6.1 m-30 -110.57 161.7 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.988 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.434 ' HB ' ' H ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -65.73 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.434 ' H ' ' HB ' ' A' ' 559' ' ' THR . 0.0 OUTLIER -70.83 -39.89 72.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.481 HG11 ' HG2' ' A' ' 628' ' ' GLU . 1.4 p -76.49 123.52 87.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.824 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.862 ' HB2' HG13 ' A' ' 565' ' ' VAL . 2.9 Cg_exo -75.82 110.56 3.11 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.022 2.481 . . . . 0.0 110.575 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -42.34 70.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.729 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 0.4 OUTLIER -60.37 -47.09 87.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.862 HG13 ' HB2' ' A' ' 562' ' ' PRO . 5.3 p -65.06 -31.6 54.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.541 ' N ' HG11 ' A' ' 565' ' ' VAL . 0.9 OUTLIER -69.68 -41.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -14.75 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.339 0.59 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.52 -19.24 50.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.233 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 577' ' ' ARG . 20.4 mt -74.16 141.37 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.154 0.502 . . . . 0.0 110.643 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.577 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -90.63 117.0 67.65 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.455 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.626 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 38.1 Cg_endo -68.02 20.44 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.056 2.504 . . . . 0.0 112.056 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.577 ' H ' ' C ' ' A' ' 570' ' ' LEU . 77.8 p -108.83 -6.64 15.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.633 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.96 -75.2 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 177.8 -148.19 8.52 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.777 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.426 HD21 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -111.61 2.88 17.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.956 0.407 . . . . 0.0 110.423 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.514 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.55 -45.71 81.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.596 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.93 -36.91 80.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 178.353 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 629' ' ' ALA . 66.3 t80 -60.5 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -40.24 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.401 0.62 . . . . 0.0 109.607 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 68.7 m -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.775 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.482 ' HB3' HG12 ' A' ' 565' ' ' VAL . . . -57.66 -43.0 84.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.153 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.474 HG13 ' HB2' ' A' ' 584' ' ' ALA . 6.8 pt -88.83 3.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.938 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.35 40.69 24.12 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.741 0.651 . . . . 0.0 109.344 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -61.8 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.97 -179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.28 -111.81 3.03 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.381 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.55 19.02 10.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.58 -23.27 58.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.159 0.504 . . . . 0.0 110.345 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.52 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.82 -26.88 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.986 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.17 -33.38 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.474 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.1 mm? -67.78 -37.78 82.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.195 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.52 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 95.7 m-85 -67.84 -41.85 82.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.632 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.9 t-20 -60.29 -40.15 89.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.007 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.09 87.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.978 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.563 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.9 t30 -79.69 -11.26 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.247 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.82 19.16 48.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.106 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 594' ' ' ASN . 9.3 mt -87.98 -105.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.799 -0.2 . . . . 0.0 110.657 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . 0.421 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.8 p90 55.81 -17.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.2 OUTLIER -111.31 173.85 6.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.074 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.401 ' HA ' ' SD ' ' A' ' 602' ' ' MET . 0.0 OUTLIER -79.33 159.86 27.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.11 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.41 -47.96 3.72 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.844 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.2 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.471 0.308 . . . . 0.0 111.427 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.474 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.23 -42.95 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.624 0.25 . . . . 0.0 110.976 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.474 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.8 OUTLIER -68.72 -42.26 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -61.53 -44.23 97.42 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.341 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.478 ' HB3' HG22 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -65.32 -33.81 76.86 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.772 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 609' ' ' HIS . 88.8 t80 -67.91 -36.74 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.668 0.747 . . . . 0.0 109.88 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.58 -45.14 91.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -78.53 -37.35 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.635 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 78.1 m-70 -129.73 141.79 50.82 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.55 12.67 21.33 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -123.68 18.31 9.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.769 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.552 ' O ' ' HG2' ' A' ' 615' ' ' ARG . 0.3 OUTLIER -50.68 -61.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -58.29 -35.33 71.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 0.0 111.357 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.74 -46.43 72.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.032 0.444 . . . . 0.0 111.06 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 612' ' ' ILE . 5.0 ptm85 -71.26 -31.27 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 594' ' ' ASN . 35.1 pt -75.33 -25.3 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.282 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.474 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 106.89 34.31 3.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.12 -1.038 . . . . 0.0 114.107 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.524 HG23 ' N ' ' A' ' 619' ' ' ASP . 18.7 mm -65.7 149.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.524 ' N ' HG23 ' A' ' 618' ' ' ILE . 13.2 t70 -61.09 121.0 11.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.316 0.579 . . . . 0.0 109.576 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -34.37 71.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -12.15 60.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.921 0.391 . . . . 0.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 21.7 mtpt -118.45 -9.41 10.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.578 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.452 HD13 HG22 ' A' ' 618' ' ' ILE . 13.2 tp -52.87 -40.97 63.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -46.96 86.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.012 0.434 . . . . 0.0 111.876 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.6 79.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.519 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.6 m-85 -64.58 -48.69 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.973 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.95 -33.39 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.481 ' HG2' HG11 ' A' ' 561' ' ' VAL . 2.8 tp10 -61.65 -49.16 77.66 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . 0.6 ' HB3' ' CE1' ' A' ' 578' ' ' PHE . . . -67.62 -35.66 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.82 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -48.37 80.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 1.1 mm? -60.16 -38.45 83.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 635' ' ' ARG . 9.1 m -63.04 -46.05 89.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.335 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.626 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 2.1 t80 -62.98 -38.95 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.35 -40.78 91.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.8 mtp180 -66.95 -46.05 75.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.446 HD12 ' HB1' ' A' ' 553' ' ' ALA . 31.9 mt -65.94 -45.87 89.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.357 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -41.88 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.616 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . 0.521 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 0.0 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.143 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.79 -23.05 67.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.127 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 7.5 mtt -66.41 -39.81 89.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.62 -6.28 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.602 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.707 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 1.4 tp -65.23 125.1 88.69 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.858 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.576 0 C-N-CA 122.826 2.35 . . . . 0.0 110.985 178.455 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 138.18 49.07 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . 0.427 ' HD1' ' HA ' ' A' ' 538' ' ' SER . 14.9 m-85 -85.64 141.14 30.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.323 0.582 . . . . 0.0 111.257 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -122.34 149.83 43.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.71 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.61 138.61 33.04 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 16.9 tp -124.91 150.69 46.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.728 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 120.05 31.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.171 0.51 . . . . 0.0 109.804 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -120.68 136.25 54.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.233 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -81.87 156.8 24.64 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -43.81 64.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.59 74.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -79.44 -28.93 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.434 ' HA ' HD12 ' B' ' 537' ' ' LEU . 82.8 t80 -56.32 -51.32 68.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.356 -178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.597 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.9 OUTLIER -63.01 -35.17 79.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.26 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . 0.488 ' HE2' HD22 ' A' ' 549' ' ' LEU . 0.5 OUTLIER -65.41 -44.3 87.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.272 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.13 -44.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.215 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.466 ' HB ' HD23 ' B' ' 642' ' ' LEU . 55.0 t -59.7 -49.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.5 mm-40 -68.8 -36.44 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.519 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.3 t80 -57.79 -48.1 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.129 0.49 . . . . 0.0 110.005 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.573 ' HB3' ' NE ' ' B' ' 635' ' ' ARG . 19.8 mt -72.05 -26.77 62.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.181 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.47 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.1 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 8.2 mmt85 -65.45 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.774 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' B' ' 636' ' ' ILE . . . -77.1 -29.53 54.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.801 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -52.22 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.594 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -81.29 125.57 78.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.078 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.4 127.2 23.04 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.03 1.82 . . . . 0.0 111.889 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.72 19.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . 0.429 ' HB3' HG11 ' B' ' 561' ' ' VAL . 4.8 m-85 -98.61 161.43 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.123 0.487 . . . . 0.0 111.813 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -73.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.636 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.62 51.55 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' B' ' 558' ' ' TYR . 1.0 OUTLIER -144.88 126.27 7.77 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.63 70.26 6.97 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.395 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -20.65 60.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -48.03 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.511 ' CG1' ' HB1' ' B' ' 581' ' ' ALA . 13.7 p -75.26 -30.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.0 109.946 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.569 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.1 t -65.83 -39.18 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.639 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 567' ' ' SER . . . . . 0.509 ' HB3' HD11 ' B' ' 636' ' ' ILE . 1.3 p -72.72 -14.34 61.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.234 0.54 . . . . 0.0 110.191 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . 0.486 ' HD2' HG22 ' B' ' 565' ' ' VAL . 0.2 OUTLIER -88.29 -11.07 47.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.832 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.842 HG21 ' HB3' ' B' ' 577' ' ' ARG . 49.6 mt -78.49 145.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.193 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -101.0 120.26 55.83 Favored Pre-proline 0 N--CA 1.436 -1.139 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.615 ' O ' ' HB2' ' B' ' 599' ' ' MET . 11.3 Cg_endo -56.24 -10.43 4.6 Favored 'Trans proline' 0 C--N 1.333 -0.264 0 C-N-CA 122.49 2.126 . . . . 0.0 112.495 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.405 ' H ' ' C ' ' B' ' 570' ' ' LEU . 30.1 p -79.87 -17.39 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.448 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 1.1 mt-10 -86.96 -1.16 57.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 91.43 166.84 40.49 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.133 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' B' ' 602' ' ' MET . 0.2 OUTLIER -72.22 -10.45 59.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -39.41 73.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.613 0.244 . . . . 0.0 110.946 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.842 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.31 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.172 179.022 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . 0.44 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 19.1 t80 -64.73 -41.58 95.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.273 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.416 HD13 ' CB ' ' B' ' 584' ' ' ALA . 0.3 OUTLIER -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 73.9 m -61.39 -42.42 98.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.574 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.511 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -56.07 -43.64 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.827 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' B' ' 584' ' ' ALA . 3.6 pt -88.19 5.86 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 61.63 35.57 17.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.052 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' B' ' 587' ' ' ASP . . . -68.81 -55.61 10.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.67 -95.11 1.1 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.051 -0.595 . . . . 0.0 114.245 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -77.55 -13.29 59.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.531 ' HB2' ' HB2' ' B' ' 584' ' ' ALA . 2.6 m-20 -62.75 -25.61 68.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.724 0.297 . . . . 0.0 111.195 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.435 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.8 OUTLIER -60.4 -25.37 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 110.752 178.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.465 HG13 HD21 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -60.98 -33.3 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.465 HD21 HG13 ' B' ' 589' ' ' VAL . 1.2 mm? -64.57 -38.17 90.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.615 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.435 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 73.5 m-85 -68.49 -41.65 79.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.814 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -61.64 -37.22 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.829 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.79 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.145 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.525 ' HB3' HG13 ' B' ' 596' ' ' ILE . 8.2 t30 -79.43 -13.16 59.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.976 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.36 22.5 37.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.06 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' B' ' 594' ' ' ASN . 13.0 mt -85.58 -101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 21.4 p90 50.94 -3.32 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 598' ' ' THR . . . . . 0.428 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.07 173.75 6.23 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.615 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 9.6 ttt -80.85 135.67 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.93 -37.3 3.37 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.962 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -45.2 90.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.56 ' HB3' HD21 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.73 -41.34 96.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.476 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.401 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.9 OUTLIER -67.47 -43.48 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.764 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.39 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.781 ' HB3' HG21 ' B' ' 612' ' ' ILE . 43.1 mm-40 -63.1 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.977 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.517 ' HA ' HD12 ' B' ' 612' ' ' ILE . 2.1 t80 -66.1 -38.16 87.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.586 0.708 . . . . 0.0 110.217 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.27 -41.12 97.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -78.3 -38.75 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.915 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -131.25 139.46 49.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -91.67 -6.67 51.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.965 0.412 . . . . 0.0 111.081 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.814 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 23.7 p-10 -125.77 42.54 3.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.125 0.488 . . . . 0.0 111.663 -178.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.5 OUTLIER -57.04 -56.75 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.704 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.9 m-85 -58.2 -38.9 77.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.616 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -67.76 -36.98 81.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.265 0.555 . . . . 0.0 110.132 178.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -42.68 75.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.507 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.5 pt -72.84 -22.41 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.32 4.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.001 -1.095 . . . . 0.0 114.021 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 21.0 mm -66.69 146.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.21 0.505 . . . . 0.0 109.757 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -64.66 126.47 28.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.027 0.442 . . . . 0.0 110.878 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -38.93 80.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.818 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -5.99 20.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 13.1 mtpt -126.35 -3.02 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.922 0.392 . . . . 0.0 110.845 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.417 HD21 ' HG3' ' B' ' 614' ' ' GLU . 3.7 tp -54.3 -44.63 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -48.15 82.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.445 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.11 -37.36 87.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.669 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.3 m-30 -65.76 -48.83 70.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.814 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 7.4 m-85 -64.08 -37.36 87.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.756 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -48.53 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.44 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -67.74 -38.38 83.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.496 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -50.0 73.27 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.2 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.536 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 1.1 mm? -64.13 -44.17 93.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.955 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 632' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 49.3 m -59.14 -44.33 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.165 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -61.36 -45.33 94.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.07 -42.23 94.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.573 ' NE ' ' HB3' ' B' ' 549' ' ' LEU . 2.7 mtp180 -60.84 -45.14 95.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' B' ' 567' ' ' SER . 70.5 mt -65.5 -44.61 94.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -41.42 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -34.85 66.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.753 0.311 . . . . 0.0 110.327 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.598 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.93 -26.43 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.73 -38.5 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.599 0.714 . . . . 0.0 109.524 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -9.33 54.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.243 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 3.3 tp -64.55 120.89 69.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.122 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 9.2 Cg_endo -86.58 66.24 4.74 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.191 2.594 . . . . 0.0 110.739 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.534 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.742 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.2 p90 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.644 0.259 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.38 135.44 33.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.216 0.531 . . . . 0.0 112.332 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.39 141.67 28.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.419 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -128.34 148.34 50.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.964 0.411 . . . . 0.0 111.44 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.48 98.38 7.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.795 178.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -88.03 142.62 27.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.651 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' THR . . . . . 0.465 HG22 HG21 ' B' ' 534' ' ' THR . 0.2 OUTLIER -91.54 121.6 33.37 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -120.26 133.13 55.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.509 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 87.7 p -84.81 156.4 21.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.514 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.39 -29.9 59.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.011 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.07 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -83.58 -28.16 28.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.339 . . . . 0.0 110.742 179.301 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.469 ' CE1' HD12 ' B' ' 535' ' ' LEU . 77.6 t80 -52.73 -48.43 66.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.704 -177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.44 ' CG2' ' HG ' ' A' ' 642' ' ' LEU . 40.0 p -66.03 -33.44 75.81 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.825 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -43.39 83.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.035 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 541' ' ' GLU . 26.3 t -70.98 -44.78 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 111.808 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.562 ' HB ' HD22 ' A' ' 642' ' ' LEU . 53.7 t -59.96 -48.5 87.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.775 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -67.09 -33.39 75.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.311 -179.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.539 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.1 t80 -61.49 -49.74 75.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.8 mt -71.02 -30.36 66.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.796 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.29 73.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.447 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.6 mmt180 -63.8 -49.2 73.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.532 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.51 -32.54 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -74.33 -23.56 59.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.52 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . 0.415 ' HA ' ' OG ' ' A' ' 567' ' ' SER . 18.7 mttt -92.78 -47.75 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.981 0.42 . . . . 0.0 110.404 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.22 116.29 59.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.692 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.32 129.34 33.09 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.148 2.565 . . . . 0.0 112.646 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -25.53 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.475 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -148.39 149.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.6 m -89.2 99.98 12.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.071 0.462 . . . . 0.0 110.372 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.558 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 20.2 t90 -165.68 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.211 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.4 p -127.9 128.48 23.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.172 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.645 ' HG2' ' HA ' ' A' ' 582' ' ' ILE . 5.2 Cg_exo -76.14 61.92 6.64 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.881 2.387 . . . . 0.0 111.828 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -73.51 -26.96 61.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.873 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . 0.419 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.46 -44.13 80.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.717 0.294 . . . . 0.0 111.676 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.446 HG12 ' HB1' ' A' ' 581' ' ' ALA . 7.5 p -78.91 -25.38 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.525 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -69.21 -38.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.142 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' SER . . . . . 0.415 ' OG ' ' HA ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -71.6 -13.95 61.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.392 0.615 . . . . 0.0 110.343 179.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -19.89 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.996 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.691 HG23 ' HB3' ' A' ' 577' ' ' ARG . 0.2 OUTLIER -90.5 146.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 111.657 -179.416 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.607 ' O ' ' HG3' ' A' ' 573' ' ' GLU . 0.4 OUTLIER -102.34 138.02 19.58 Favored Pre-proline 0 C--N 1.313 -0.999 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.611 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 40.3 Cg_endo -68.91 19.58 0.15 Allowed 'Trans proline' 0 C--N 1.334 -0.23 0 C-N-CA 122.374 2.05 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.659 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 19.1 p -107.71 -11.3 15.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.039 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.2 OUTLIER -97.36 6.15 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.282 0.563 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 101.34 -156.13 19.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 602' ' ' MET . 0.2 OUTLIER -119.14 -11.28 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.788 0.294 . . . . 0.0 110.999 179.464 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -38.62 67.87 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.691 ' HB3' HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.63 -37.63 85.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.708 179.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -63.08 -38.89 93.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.667 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -64.94 -44.8 88.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 23.9 m -61.87 -37.32 84.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.715 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.446 ' HB1' HG12 ' A' ' 565' ' ' VAL . . . -56.36 -45.56 80.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.645 ' HA ' ' HG2' ' A' ' 562' ' ' PRO . 5.2 pt -93.37 5.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 62.82 39.38 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.661 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -117.37 52.51 0.97 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.332 0.587 . . . . 0.0 110.123 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.75 -12.74 67.95 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.477 -0.783 . . . . 0.0 114.664 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.87 -22.35 20.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.893 0.847 . . . . 0.0 110.537 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.615 ' CB ' ' HH ' ' A' ' 626' ' ' TYR . 10.8 m-20 -74.6 -22.9 58.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.632 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' SER . . . . . 0.549 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.75 -25.3 60.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.582 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.61 HG12 HD21 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -59.23 -34.15 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.044 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.61 HD21 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -65.44 -39.32 91.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.728 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.549 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 79.7 m-85 -68.61 -43.83 75.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.518 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -57.86 -44.45 86.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.496 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.9 82.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.567 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.447 ' HB3' HD12 ' A' ' 596' ' ' ILE . 1.4 t-20 -81.36 -12.47 58.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.635 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.12 36.17 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.543 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 594' ' ' ASN . 5.2 mt -104.05 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.752 0.311 . . . . 0.0 110.606 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -150.18 13.15 0.77 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.982 0.42 . . . . 0.0 110.563 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.14 172.45 6.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.659 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.34 136.97 35.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.318 -179.622 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -23.41 2.26 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.613 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.9 OUTLIER -57.81 -45.08 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.08 0.552 . . . . 0.0 111.42 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.509 ' HB2' HD21 ' A' ' 575' ' ' LEU . 25.0 ttp -61.8 -46.05 91.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.632 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.93 -40.02 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.707 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -61.81 -47.22 86.11 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -64.73 -33.9 77.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.0 110.112 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.47 ' HA ' HD11 ' A' ' 612' ' ' ILE . 31.7 t80 -64.73 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.041 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -41.43 97.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -77.75 -27.41 50.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.522 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 74.7 m-70 -119.24 -147.04 0.39 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.969 0.414 . . . . 0.0 111.326 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.7 p-10 -168.45 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.73 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.05 41.0 3.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.988 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.0 OUTLIER -55.2 -52.45 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.363 -179.393 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.56 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.2 m-85 -59.89 -41.99 92.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.145 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.86 92.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.463 0.649 . . . . 0.0 110.295 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -42.47 75.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.92 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.2 pt -67.6 -25.68 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 114.44 32.13 2.03 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.153 -1.022 . . . . 0.0 113.508 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.605 HG21 ' N ' ' A' ' 619' ' ' ASP . 22.0 mm -66.63 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.989 0.395 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.605 ' N ' HG21 ' A' ' 618' ' ' ILE . 0.2 OUTLIER -66.15 128.77 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.356 179.659 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.658 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.99 -23.03 67.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.047 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -18.59 62.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -118.42 -6.03 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 13.7 tp -54.68 -44.6 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.557 0.536 . . . . 0.0 112.378 -178.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -47.87 82.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.283 0.563 . . . . 0.0 111.502 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -69.37 -33.69 73.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.418 0.627 . . . . 0.0 109.734 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.615 ' HH ' ' CB ' ' A' ' 587' ' ' ASP . 0.2 OUTLIER -59.56 -51.53 69.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.755 -1.112 . . . . 0.0 111.695 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -65.84 -31.85 73.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.59 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.7 -50.16 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.309 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.425 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.1 -50.49 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.737 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . 0.571 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 3.4 mm? -66.7 -40.8 88.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.711 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 50.8 m -60.94 -39.14 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.931 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.611 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 28.0 t80 -63.51 -45.92 88.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.46 -38.18 83.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -65.62 -41.75 92.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.54 -47.28 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 109.997 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 637' ' ' GLN . 8.1 tp60 -61.13 -42.93 99.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.161 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.26 -38.55 90.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 642' ' ' LEU . . . -63.24 -27.03 69.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.507 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.8 mmm -68.57 -32.92 73.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.306 0.574 . . . . 0.0 109.717 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -4.94 45.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.949 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.562 HD22 ' HB ' ' A' ' 546' ' ' VAL . 1.2 tp -57.67 123.51 63.17 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.163 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 C-N-CA 122.815 2.343 . . . . 0.0 112.348 179.703 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.514 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.24 138.83 52.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.24 0.543 . . . . 0.0 110.622 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . 0.551 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 9.1 m-85 -89.24 131.68 35.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.386 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 147.71 51.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 534' ' ' THR . . . . . 0.465 HG21 HG22 ' A' ' 536' ' ' THR . 0.0 OUTLIER -96.13 137.9 34.52 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 120.935 0.398 . . . . 0.0 110.477 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 542' ' ' TYR . 14.9 tp -118.03 143.74 46.17 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.43 120.59 32.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.035 0.445 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.574 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -123.71 126.69 46.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.104 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 538' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -81.97 155.04 25.42 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.237 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.742 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.63 -40.71 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -63.35 -46.67 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -27.64 34.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.441 . . . . 0.0 111.086 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.574 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 67.4 t80 -53.42 -51.44 62.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.37 -177.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.503 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 24.6 p -64.6 -35.81 82.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.021 0.439 . . . . 0.0 110.733 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -66.72 -44.54 81.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.147 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . 0.565 HG23 HD12 ' B' ' 537' ' ' LEU . 20.9 t -70.4 -45.3 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.525 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.579 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.3 t -59.65 -50.8 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.747 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -68.52 -32.79 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.14 -47.29 83.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.7 mt -72.19 -35.52 68.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.093 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' B' ' 547' ' ' GLU . . . -61.78 -33.34 73.91 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.825 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.747 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 19.7 mmt85 -65.04 -43.27 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.65 -34.03 76.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.364 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.02 -32.97 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.972 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -74.8 -57.9 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 110.017 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.48 122.11 58.29 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.789 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 18.6 Cg_endo -57.69 127.5 25.52 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.38 2.054 . . . . 0.0 111.622 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -125.93 -10.94 6.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.665 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.47 131.09 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.47 109.55 19.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -174.39 -55.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.057 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.47 133.0 22.82 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.214 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.82 69.18 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.783 2.322 . . . . 0.0 112.028 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -36.92 80.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -56.67 -49.12 76.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.499 -179.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.588 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -69.96 -32.35 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.163 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.499 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.4 t -65.01 -42.77 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 1.3 p -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.424 0.63 . . . . 0.0 109.557 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.1 -25.43 62.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.9 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.588 HG13 ' O ' ' B' ' 565' ' ' VAL . 18.5 mt -76.83 130.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.58 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.8 OUTLIER -87.22 122.38 70.96 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 176.375 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' B' ' 570' ' ' LEU . 26.1 Cg_endo -64.61 6.91 0.28 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.067 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.799 ' HA ' ' HB2' ' B' ' 599' ' ' MET . 54.6 p -95.92 -3.63 44.91 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.8 OUTLIER -102.66 2.6 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.364 0.602 . . . . 0.0 109.629 178.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 105.94 -144.18 15.79 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.331 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.442 ' HB3' ' HE2' ' B' ' 602' ' ' MET . 0.1 OUTLIER -126.97 -2.3 6.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.766 0.283 . . . . 0.0 111.206 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -45.02 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.844 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . 0.551 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.903 179.575 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.0 -47.12 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -61.84 -42.13 98.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.36 0.6 . . . . 0.0 109.578 178.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.0 m -62.52 -39.64 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.2 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -58.37 -41.52 84.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.136 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.524 ' HB ' ' HE3' ' B' ' 625' ' ' LYS . 5.4 pt -95.23 5.27 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt 61.77 42.01 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.639 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.42 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -120.41 55.71 1.01 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -79.6 24.05 3.32 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.725 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -122.39 -27.32 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.79 0.805 . . . . 0.0 109.681 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . 0.682 ' HB2' ' HH ' ' B' ' 626' ' ' TYR . 3.0 m-20 -74.72 -20.5 59.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.25 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.757 ' HB3' HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -56.33 -25.91 50.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.885 179.739 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.581 HG11 ' N ' ' B' ' 590' ' ' LEU . 1.6 p -58.99 -34.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.119 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.581 ' N ' HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.64 -36.6 82.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.065 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 87.3 m-85 -67.44 -42.75 82.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.751 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.36 -35.47 73.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.364 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.79 91.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.33 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' B' ' 596' ' ' ILE . 56.3 t30 -79.76 -11.93 59.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.34 20.59 29.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.23 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' B' ' 594' ' ' ASN . 2.9 mt -100.5 90.18 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.64 0.257 . . . . 0.0 110.887 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.61 12.11 2.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.067 0.46 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.37 173.83 8.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.215 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.799 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 3.9 ptt? -80.32 152.71 28.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -41.45 1.81 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -39.46 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.805 0.442 . . . . 0.0 111.85 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.442 ' HE2' ' HB3' ' B' ' 575' ' ' LEU . 3.1 ttm -58.69 -48.85 79.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.319 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . 0.757 HG12 ' HG2' ' B' ' 637' ' ' GLN . 1.1 mp -69.78 -41.91 79.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.384 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -58.55 -42.02 86.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.684 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . 0.787 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -65.06 -33.33 75.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.465 ' HA ' HD13 ' B' ' 612' ' ' ILE . 76.7 t80 -67.31 -39.25 85.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.708 0.289 . . . . 0.0 110.546 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 21.5 mt-10 -72.94 -44.74 60.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.16 0.505 . . . . 0.0 110.49 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -77.4 -29.41 53.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 8.0 m-70 -123.89 -50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 11.2 t-20 77.05 -43.17 0.43 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.211 0.604 . . . . 0.0 111.38 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 14.1 t70 -93.36 33.31 1.24 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.787 HG12 ' HB3' ' B' ' 605' ' ' GLU . 0.4 OUTLIER -60.08 -56.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.984 -178.277 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' B' ' 618' ' ' ILE . 2.1 m-85 -57.96 -41.56 83.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . 0.411 ' HG2' HD13 ' B' ' 623' ' ' LEU . 0.9 OUTLIER -68.2 -36.29 79.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.0 110.049 178.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 1.6 ttt-85 -70.18 -42.35 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.798 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.464 HD13 HD13 ' B' ' 618' ' ' ILE . 34.3 pt -68.27 -26.38 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.32 35.6 2.09 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.623 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.61 HG22 ' N ' ' B' ' 619' ' ' ASP . 23.9 mm -65.88 144.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.61 ' N ' HG22 ' B' ' 618' ' ' ILE . 0.1 OUTLIER -65.24 136.65 56.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 -179.192 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.441 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -64.19 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.015 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -15.95 63.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 111.24 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 5.4 mtmp? -117.02 -10.31 10.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 11.2 tp -54.5 -45.22 73.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -47.95 82.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . 0.524 ' HE3' ' HB ' ' B' ' 582' ' ' ILE . 0.2 OUTLIER -70.28 -34.02 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.429 0.633 . . . . 0.0 109.74 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.682 ' HH ' ' HB2' ' B' ' 587' ' ' ASP . 0.2 OUTLIER -59.72 -52.99 63.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.373 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.16 -32.64 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -50.67 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.18 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.09 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.31 -49.29 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.491 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 3.7 mm? -62.88 -44.87 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 17.4 m -62.5 -37.11 84.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.552 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' B' ' 636' ' ' ILE . 0.5 OUTLIER -64.98 -41.52 95.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.886 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.7 -38.16 84.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.378 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' B' ' 633' ' ' PHE . 28.2 mt -65.41 -45.66 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.319 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.757 ' HG2' HG12 ' B' ' 603' ' ' ILE . 9.2 tp60 -57.6 -42.81 83.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.315 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.498 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.9 tp10 -65.14 -35.0 79.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.51 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -62.96 -28.58 70.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.5 mtt -69.67 -23.28 63.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 109.455 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . 0.502 ' HE3' ' HG3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -95.79 -5.9 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.613 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.579 HD21 ' HB ' ' B' ' 546' ' ' VAL . 0.3 OUTLIER -64.23 119.67 58.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.708 -179.15 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.84 -7.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.839 2.359 . . . . 0.0 111.947 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.565 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' TYR . . . . . 0.623 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.47 121.57 13.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.939 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.02 128.88 35.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 137.88 53.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.949 0.404 . . . . 0.0 111.264 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 104.63 16.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.943 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -105.07 150.25 25.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.175 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.54 121.95 32.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.348 0.594 . . . . 0.0 109.711 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 542' ' ' TYR . 1.0 OUTLIER -110.2 129.04 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.209 -179.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.637 ' HB2' ' CE1' ' B' ' 530' ' ' TYR . 85.8 p -78.56 157.6 28.74 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -28.09 63.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.35 -48.0 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.62 -27.67 31.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . 0.503 ' HA ' HD13 ' A' ' 537' ' ' LEU . 70.2 t80 -52.89 -50.2 64.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.883 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.763 HG23 ' HG ' ' A' ' 642' ' ' LEU . 2.2 p -66.99 -34.96 78.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.32 0.581 . . . . 0.0 110.76 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.9 -44.4 85.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.24 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' VAL . . . . . 0.4 ' CG2' HD12 ' B' ' 549' ' ' LEU . 54.3 t -71.39 -44.22 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.678 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.529 ' HB ' HD21 ' A' ' 642' ' ' LEU . 52.3 t -59.72 -49.5 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.942 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -65.78 -34.27 77.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.096 -179.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' PHE . . . . . 0.591 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.1 t80 -59.21 -51.53 69.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.182 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.1 mt -72.27 -27.53 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.716 0.293 . . . . 0.0 111.33 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.2 mmt85 -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.434 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 549' ' ' LEU . 2.0 mt-10 -67.94 -32.15 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.275 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.86 -38.69 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.75 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -71.37 -55.57 7.72 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.42 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 72.4 t -94.44 118.55 66.97 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 3.5 Cg_endo -46.26 124.19 7.42 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.548 2.165 . . . . 0.0 113.126 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -141.84 6.49 1.81 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.057 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' TYR . . . . . 0.409 ' CD1' HG23 ' A' ' 563' ' ' THR . 23.4 m-85 -115.62 124.73 51.68 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.348 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -21.03 17.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.497 0.665 . . . . 0.0 110.029 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.412 ' HZ3' ' CA ' ' A' ' 625' ' ' LYS . 2.7 t90 -80.24 -45.7 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.761 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 4.3 p -127.24 131.89 24.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.036 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 45.9 Cg_exo -57.46 129.9 36.31 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 111.752 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' THR . . . . . 0.409 HG23 ' CD1' ' A' ' 558' ' ' TYR . 0.0 OUTLIER -120.44 -35.63 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.9 78.34 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 581' ' ' ALA . 14.7 p -67.66 -30.76 49.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.31 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.467 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.2 t -70.7 -40.63 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.44 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -14.14 61.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.405 0.621 . . . . 0.0 110.127 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -10.97 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.59 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . 0.573 HG12 ' HD2' ' A' ' 577' ' ' ARG . 2.7 mt -90.45 145.5 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.9 OUTLIER -94.39 123.52 58.3 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' PRO . . . . . 0.639 ' HB3' ' HE1' ' A' ' 633' ' ' PHE . 33.7 Cg_endo -65.6 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.142 2.562 . . . . 0.0 113.078 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 570' ' ' LEU . 21.8 p -103.34 -8.55 20.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.35 0.595 . . . . 0.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.28 -118.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.648 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.447 ' HA3' ' OE1' ' A' ' 576' ' ' GLU . . . -143.02 159.86 27.47 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.217 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.88 -3.9 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.447 ' OE1' ' HA3' ' A' ' 574' ' ' GLY . 5.7 pm0 -55.62 -40.03 71.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.713 0.292 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' ARG . . . . . 0.573 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.73 -41.26 75.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.007 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.73 92.42 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.787 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -60.33 -37.6 81.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.111 0.481 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' ALA . . . . . 0.429 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -60.02 -35.45 75.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.514 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' ILE . . . . . 0.564 HG13 ' HB1' ' A' ' 584' ' ' ALA . 7.7 pt -102.38 9.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.417 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 41.37 6.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.564 ' HB1' HG13 ' A' ' 582' ' ' ILE . . . -102.73 54.01 0.78 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.672 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -66.63 -16.41 65.54 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.727 -0.669 . . . . 0.0 114.073 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -111.15 -28.87 8.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.805 0.803 . . . . 0.0 111.743 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 584' ' ' ALA . 2.5 m-20 -64.62 -23.19 67.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.636 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.06 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.491 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.69 -33.87 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.45 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' LEU . . . . . 0.441 ' N ' HG13 ' A' ' 589' ' ' VAL . 1.2 mm? -63.55 -37.76 88.56 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.552 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -68.67 -41.39 79.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.404 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.47 -40.86 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.352 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.63 83.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.274 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -81.5 -10.13 59.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.125 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.93 40.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.394 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' ILE . . . . . 0.507 HG23 HD21 ' A' ' 575' ' ' LEU . 15.7 mt -89.78 -97.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 122.156 0.182 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 21.3 p90 54.1 -2.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.528 1.531 . . . . 0.0 115.025 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -110.63 147.71 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.138 0.426 . . . . 0.0 110.526 178.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -81.08 143.09 32.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 96.92 -42.31 2.2 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -39.99 92.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.92 -0.64 . . . . 0.0 109.503 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.95 -34.48 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.485 178.638 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' ILE . . . . . 0.434 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -67.92 -39.87 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -44.18 91.52 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.849 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' GLU . . . . . 0.633 ' HB3' HG22 ' A' ' 612' ' ' ILE . 13.2 mm-40 -65.74 -33.91 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.02 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' PHE . . . . . 0.488 ' HA ' HD11 ' A' ' 612' ' ' ILE . 47.0 t80 -66.81 -38.04 85.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.125 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.38 -42.93 74.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.65 -36.91 65.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.483 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' HIS . . . . . 0.505 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 52.4 m-70 -118.37 -138.18 0.35 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.505 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 2.6 p30 -173.11 -32.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 615' ' ' ARG . 2.5 t0 -105.56 39.36 1.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.272 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 605' ' ' GLU . 0.9 OUTLIER -54.68 -55.13 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.316 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.1 m-85 -58.43 -44.49 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.69 84.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.19 0.519 . . . . 0.0 110.306 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 611' ' ' ASP . 0.2 OUTLIER -66.32 -43.04 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.306 -179.507 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' ILE . . . . . 0.437 HD13 HD12 ' A' ' 618' ' ' ILE . 40.8 pt -71.86 -23.62 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.27 30.64 2.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.112 -1.042 . . . . 0.0 113.747 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.511 HG23 ' N ' ' A' ' 619' ' ' ASP . 24.1 mm -68.77 145.69 13.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 116.969 0.385 . . . . 0.0 110.212 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.511 ' N ' HG23 ' A' ' 618' ' ' ILE . 21.0 t70 -65.32 130.56 43.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 111.146 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' SER . . . . . 0.744 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -68.58 -30.96 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -13.97 60.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.721 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.73 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 31.1 mtmt -127.88 3.17 5.98 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' LEU . . . . . 0.744 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.4 tp -53.85 -44.75 70.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.002 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.99 87.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.98 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -63.91 -37.58 87.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.254 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' TYR . . . . . 0.449 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 2.8 m-85 -67.18 -48.72 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.097 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -65.33 -35.27 80.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.87 -49.0 79.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.347 0.594 . . . . 0.0 110.611 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.81 -35.28 78.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.903 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -49.93 75.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.412 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.13 -43.89 97.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 111.152 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 19.2 m -63.04 -37.6 87.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.41 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' PHE . . . . . 0.639 ' HE1' ' HB3' ' A' ' 571' ' ' PRO . 15.6 t80 -65.47 -45.08 85.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.96 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.16 -38.33 82.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.595 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.52 -41.01 98.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 633' ' ' PHE . 53.2 mt -63.38 -48.67 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -41.62 89.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.579 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.81 -41.19 87.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' ALA . . . . . 0.504 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.98 -26.77 68.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.566 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -35.5 74.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.798 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -4.8 43.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.763 ' HG ' HG23 ' A' ' 543' ' ' THR . 2.8 tp -56.42 119.88 31.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.615 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 54.1 Cg_endo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 123.62 2.88 . . . . 0.0 110.901 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 530' ' ' TYR . . . . . 0.637 ' CE1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 133.7 51.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.145 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.08 131.98 34.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.43 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -109.79 128.38 55.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.734 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.41 111.86 17.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.84 139.75 36.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.91 120.9 33.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.301 0.572 . . . . 0.0 111.091 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 537' ' ' LEU . . . . . 0.446 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -121.92 124.42 44.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.496 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.6 156.05 25.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 539' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -50.46 -44.85 55.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.38 89.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 -29.65 30.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.938 0.399 . . . . 0.0 111.469 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 542' ' ' TYR . . . . . 0.446 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 76.9 t80 -54.21 -52.51 61.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 543' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' B' ' 547' ' ' GLU . 29.8 p -62.99 -37.2 86.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.916 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.88 -44.71 80.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.79 -43.93 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.382 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 546' ' ' VAL . . . . . 0.529 ' HB ' HD21 ' B' ' 642' ' ' LEU . 54.1 t -59.94 -49.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.998 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 547' ' ' GLU . . . . . 0.75 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.22 -36.48 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.551 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 548' ' ' PHE . . . . . 0.49 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -58.3 -47.13 84.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.781 -179.309 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 549' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 16.2 mt -71.22 -29.91 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 550' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' B' ' 636' ' ' ILE . . . -68.79 -35.23 76.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.628 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 551' ' ' ARG . . . . . 0.75 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt85 -66.96 -42.82 84.53 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.262 0.553 . . . . 0.0 109.67 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 552' ' ' GLU . . . . . 0.473 ' OE2' ' HD3' ' B' ' 557' ' ' ARG . 0.1 OUTLIER -62.88 -43.25 99.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.011 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.413 ' CB ' HD12 ' B' ' 636' ' ' ILE . . . -77.68 -17.93 57.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.994 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -80.44 -52.12 8.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.102 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 4.1 m -85.28 155.54 60.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.991 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -65.4 124.1 12.41 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 108.92 -1.223 . . . . 0.0 108.92 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 557' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' B' ' 552' ' ' GLU . 1.5 ttt180 -167.0 23.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.347 0.594 . . . . 0.0 110.038 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -142.66 132.45 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.774 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -27.92 9.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.033 0.444 . . . . 0.0 111.056 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 560' ' ' TRP . . . . . 0.748 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 22.7 t90 -78.73 -39.9 35.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.626 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.64 127.49 26.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.78 63.46 8.74 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.763 2.309 . . . . 0.0 112.468 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -19.37 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -58.52 -40.2 82.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.803 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' B' ' 581' ' ' ALA . 8.0 p -81.4 -21.36 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 566' ' ' VAL . . . . . 0.52 ' HA ' HD11 ' B' ' 569' ' ' ILE . 1.2 t -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.976 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -14.08 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.235 0.541 . . . . 0.0 110.502 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -19.23 53.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 569' ' ' ILE . . . . . 0.52 HD11 ' HA ' ' B' ' 566' ' ' VAL . 1.6 mt -82.47 145.49 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.315 0.578 . . . . 0.0 111.326 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 570' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.8 OUTLIER -93.81 126.97 47.43 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.852 178.008 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 571' ' ' PRO . . . . . 0.794 ' HA ' ' HG3' ' B' ' 599' ' ' MET . 44.3 Cg_endo -69.97 15.82 0.24 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.922 2.414 . . . . 0.0 112.044 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 572' ' ' THR . . . . . 0.52 ' H ' ' C ' ' B' ' 570' ' ' LEU . 81.3 p -102.51 -4.79 24.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.142 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -104.29 -130.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.442 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 574' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' B' ' 599' ' ' MET . . . -115.57 -153.83 10.36 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.619 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 575' ' ' LEU . . . . . 0.494 HD23 ' SD ' ' B' ' 602' ' ' MET . 0.0 OUTLIER -115.54 -2.33 12.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.978 0.418 . . . . 0.0 110.322 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.35 -42.69 74.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -37.36 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.23 -44.98 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.474 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 579' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.32 -44.15 88.75 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.402 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 37.6 m -60.57 -37.16 80.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.168 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 581' ' ' ALA . . . . . 0.438 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.94 -43.14 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.492 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 582' ' ' ILE . . . . . 0.55 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.4 pt -94.58 9.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.22 40.91 14.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.24 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 584' ' ' ALA . . . . . 0.618 ' HB1' ' OH ' ' B' ' 626' ' ' TYR . . . -97.82 49.89 1.03 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.839 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.25 62.63 2.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 179.32 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.409 0.624 . . . . 0.0 109.525 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -65.17 -24.69 67.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.051 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 588' ' ' SER . . . . . 0.544 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -25.9 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 589' ' ' VAL . . . . . 0.617 HG13 ' N ' ' B' ' 590' ' ' LEU . 0.8 OUTLIER -62.18 -33.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.369 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 590' ' ' LEU . . . . . 0.617 ' N ' HG13 ' B' ' 589' ' ' VAL . 1.2 mm? -65.39 -38.82 91.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.566 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 591' ' ' PHE . . . . . 0.544 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 85.0 m-85 -67.99 -41.53 82.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.159 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 592' ' ' ASN . . . . . 0.422 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 5.5 t-20 -62.46 -40.49 96.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.279 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.46 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.842 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.31 -11.77 59.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.349 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 88.43 17.5 56.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.639 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 596' ' ' ILE . . . . . 0.472 HG22 HD22 ' B' ' 575' ' ' LEU . 17.4 mt -81.73 -95.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 597' ' ' TYR . . . . . 0.422 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 40.7 p90 52.15 -5.34 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 598' ' ' THR . . . . . 0.469 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.09 147.65 36.86 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.662 -0.649 . . . . 0.0 110.41 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 599' ' ' MET . . . . . 0.794 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.44 150.92 28.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 94.97 -46.41 2.06 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.27 -35.98 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.366 0.603 . . . . 0.0 109.426 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 602' ' ' MET . . . . . 0.494 ' SD ' HD23 ' B' ' 575' ' ' LEU . 3.3 ttp -62.56 -39.26 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -41.36 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.362 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -62.52 -43.32 99.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.653 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.79 -36.11 82.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.125 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 606' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' B' ' 612' ' ' ILE . 35.3 t80 -65.85 -41.15 92.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.31 -42.58 88.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.718 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -76.22 -30.48 57.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 609' ' ' HIS . . . . . 0.465 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 41.8 m-70 -117.55 -138.27 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 610' ' ' ASN . . . . . 0.465 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 1.2 p30 175.23 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -102.91 34.21 2.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.553 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 612' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -57.63 -61.28 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.124 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.75 -41.67 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.366 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 614' ' ' GLU . . . . . 0.497 ' HG2' HD22 ' B' ' 623' ' ' LEU . 1.5 mm-40 -66.85 -37.05 83.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.272 0.558 . . . . 0.0 110.27 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.39 -42.27 92.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.19 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 616' ' ' ILE . . . . . 0.51 HD12 HD11 ' B' ' 618' ' ' ILE . 38.3 pt -73.07 -23.72 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.794 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.25 3.87 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.836 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 618' ' ' ILE . . . . . 0.617 HG21 HD12 ' B' ' 623' ' ' LEU . 22.8 mm -66.44 146.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.596 ' N ' HG22 ' B' ' 618' ' ' ILE . 8.6 t0 -64.66 120.31 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.742 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.5 m -71.24 -14.99 62.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.685 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.8 -18.69 61.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.863 -0.523 . . . . 0.0 110.398 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 622' ' ' LYS . . . . . 0.548 ' HE2' ' HB3' ' B' ' 619' ' ' ASP . 15.8 mtmt -128.38 2.6 5.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 623' ' ' LEU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 13.4 tp -53.01 -36.96 61.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.396 0.678 . . . . 0.0 112.608 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 624' ' ' SER . . . . . 0.748 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -59.02 -47.39 85.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.947 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.92 82.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 626' ' ' TYR . . . . . 0.618 ' OH ' ' HB1' ' B' ' 584' ' ' ALA . 2.1 m-85 -61.78 -47.43 85.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.699 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 627' ' ' TYR . . . . . 0.479 ' O ' HD23 ' B' ' 631' ' ' LEU . 7.3 m-85 -65.03 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.297 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.86 -48.77 80.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 109.716 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.56 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.435 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 630' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 602' ' ' MET . 1.3 t80 -58.94 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 631' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.2 mm? -64.24 -44.15 92.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -60.55 -42.38 96.43 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 633' ' ' PHE . . . . . 0.486 ' HE1' ' HB3' ' B' ' 571' ' ' PRO . 14.4 t80 -63.5 -37.83 88.82 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.202 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -60.08 -41.72 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.369 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 635' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 27.3 mmt180 -66.55 -46.22 76.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 636' ' ' ILE . . . . . 0.49 ' O ' ' HG3' ' B' ' 640' ' ' MET . 77.0 mt -60.83 -45.56 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.34 -46.26 86.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.834 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 638' ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -65.78 -39.99 91.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.518 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.62 -27.09 68.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.309 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 640' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 21.1 mtt -67.5 -33.28 74.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.271 0.558 . . . . 0.0 109.835 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -4.88 42.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.288 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 642' ' ' LEU . . . . . 0.529 HD21 ' HB ' ' B' ' 546' ' ' VAL . 1.4 tp -53.01 114.72 6.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.731 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -94.48 -144.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.294 2.663 . . . . 0.0 111.26 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.592 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.089 0.471 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -176.85 -61.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' B' ' 538' ' ' SER . 19.7 t80 -154.54 87.58 1.17 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.693 -1.139 . . . . 0.0 108.549 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 146.62 30.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -110.05 142.62 41.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.021 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -126.16 126.27 43.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.022 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' THR . . . . . 0.547 HG21 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -80.69 111.76 17.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -96.95 150.78 20.37 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.782 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.64 119.18 30.67 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.527 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 2.0 mm? -118.3 113.27 21.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.46 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' B' ' 532' ' ' PHE . 0.0 OUTLIER -71.55 157.4 38.07 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.14 -47.41 17.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . 0.445 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . . . -69.87 -44.59 69.51 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.97 -31.75 64.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.378 0.609 . . . . 0.0 110.206 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.527 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 65.3 t80 -58.16 -50.9 71.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.536 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.575 HG22 ' HG ' ' A' ' 642' ' ' LEU . 4.5 p -66.9 -33.34 75.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -61.95 -46.2 90.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.419 HG22 HD12 ' A' ' 537' ' ' LEU . 75.2 t -72.81 -43.87 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.408 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.53 ' HB ' HD23 ' A' ' 642' ' ' LEU . 47.6 t -59.51 -47.72 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.695 ' HG3' ' HD2' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -68.91 -36.37 77.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.251 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.6 t80 -58.98 -50.89 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.058 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.6 mt -71.71 -28.8 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.202 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.31 86.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 10.9 mmt85 -67.72 -37.31 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.703 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.401 ' HB3' ' HE1' ' A' ' 558' ' ' TYR . 3.2 mm-40 -66.25 -39.66 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.459 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.52 49.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.872 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.22 -54.7 21.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.5 122.32 59.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.539 ' HB3' ' HB3' ' A' ' 564' ' ' GLN . 9.7 Cg_endo -52.76 126.01 19.83 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.36 2.04 . . . . 0.0 112.811 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -152.13 14.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.598 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' A' ' 552' ' ' GLU . 50.3 m-85 -130.54 123.44 29.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.642 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -20.67 16.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.297 0.57 . . . . 0.0 109.783 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.418 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 6.5 t90 -69.08 -39.49 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.067 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.22 122.14 14.8 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.915 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.73 87.27 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.783 2.322 . . . . 0.0 112.165 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -24.49 35.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.322 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 556' ' ' PRO . 5.9 pm0 -57.4 -40.59 78.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 569' ' ' ILE . 13.2 p -77.69 -30.26 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.538 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.04 -42.3 91.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -14.7 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -20.35 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.69 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 9.6 mt -77.02 134.44 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.285 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -88.81 119.19 69.9 Favored Pre-proline 0 N--CA 1.434 -1.237 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 176.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.543 ' HD2' HD11 ' A' ' 570' ' ' LEU . 17.9 Cg_endo -60.08 -3.02 2.0 Allowed 'Trans proline' 0 CA--C 1.521 -0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.31 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 570' ' ' LEU . 71.2 p -81.12 -17.3 50.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.336 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -27.01 25.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.616 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.91 -134.26 7.94 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.95 0.77 4.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.605 0.241 . . . . 0.0 110.572 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -46.35 75.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.23 -36.75 77.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.689 0.28 . . . . 0.0 110.47 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.87 -43.71 94.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.435 HD12 ' HB1' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -67.49 -40.57 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 32.8 m -60.86 -37.87 83.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.444 ' HB1' ' CG1' ' A' ' 565' ' ' VAL . . . -56.52 -36.07 68.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.77 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.562 HG13 ' HB3' ' A' ' 584' ' ' ALA . 30.1 pt -103.27 5.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.503 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.58 43.36 3.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.302 0.572 . . . . 0.0 111.172 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.562 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -100.25 51.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -65.38 -18.66 65.66 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -31.93 9.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.45 0.625 . . . . 0.0 111.169 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.72 -24.41 62.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.398 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.509 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.39 -25.85 64.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.972 0.415 . . . . 0.0 111.007 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.577 HG12 ' N ' ' A' ' 590' ' ' LEU . 0.5 OUTLIER -61.84 -33.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.204 -179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.577 ' N ' HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -63.4 -37.14 86.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.051 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 57.1 m-85 -68.14 -44.75 75.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -38.76 81.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.222 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.95 92.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.31 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.479 ' HB3' HD11 ' A' ' 596' ' ' ILE . 11.9 t30 -84.59 -6.58 59.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.771 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.27 21.41 41.58 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.52 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 594' ' ' ASN . 6.1 mt -99.71 98.55 7.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.892 0.377 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.59 19.87 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.13 11.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.278 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 11.1 ttt -80.22 137.73 36.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.322 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.75 -36.28 3.7 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.248 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -45.12 95.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -42.89 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.0 OUTLIER -68.85 -41.65 82.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.065 0.46 . . . . 0.0 109.994 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 -61.85 -45.26 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.776 ' HB3' HG12 ' A' ' 612' ' ' ILE . 3.8 mm-40 -62.18 -34.09 75.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.281 0.562 . . . . 0.0 110.173 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.28 -38.48 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.576 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 24.5 mt-10 -74.17 -36.44 64.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.259 0.552 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.67 -40.59 48.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.944 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -124.04 -54.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 85.27 -30.74 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.092 0.87 . . . . 0.0 110.15 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -94.0 28.19 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.776 HG12 ' HB3' ' A' ' 605' ' ' GLU . 0.7 OUTLIER -51.24 -52.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.899 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 591' ' ' PHE . 2.5 m-85 -57.83 -43.88 86.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.949 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -35.8 80.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.294 0.569 . . . . 0.0 110.312 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -43.47 70.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.712 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.6 pt -72.36 -22.84 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.07 30.9 3.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.881 -1.152 . . . . 0.0 113.716 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 619' ' ' ASP . 21.0 mm -67.74 146.14 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 618' ' ' ILE . 3.3 t70 -65.28 123.63 20.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.146 0.498 . . . . 0.0 110.98 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.665 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.09 -24.13 66.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.261 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.331 . . . . 0.0 111.428 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' A' ' 622' ' ' LYS . 20.8 mtmm -129.47 11.52 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.231 0.539 . . . . 0.0 109.86 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.665 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.2 tp -54.67 -42.79 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -48.53 81.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.903 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.418 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 1.0 OUTLIER -63.14 -38.64 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.365 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.525 ' OH ' ' HB2' ' A' ' 584' ' ' ALA . 3.4 m-85 -65.15 -48.98 71.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.3 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.779 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.6 -50.23 70.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.03 80.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.472 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.408 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.6 OUTLIER -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.238 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.608 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 1.4 mm? -64.85 -44.07 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.025 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -38.69 92.19 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.87 -45.86 91.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.94 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -61.41 -41.69 97.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.777 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 4.2 mmt85 -62.5 -45.37 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.37 -46.56 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.093 0.473 . . . . 0.0 110.356 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.493 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -57.54 -46.46 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.939 -179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.6 -35.88 75.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.15 -28.6 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.687 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -29.47 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 109.924 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -6.6 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.72 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.575 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -66.0 121.64 77.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.993 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.8 Cg_exo -76.07 -26.22 9.47 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.862 2.374 . . . . 0.0 111.506 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.695 ' HD2' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.569 0.223 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 64.57 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.848 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' B' ' 627' ' ' TYR . 1.5 t80 -134.11 50.07 2.22 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.986 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 155.9 32.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . 0.668 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 37.7 m-85 -100.47 139.73 35.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.541 0.686 . . . . 0.0 112.249 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.98 128.31 48.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.572 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 121.77 19.85 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.094 0.473 . . . . 0.0 111.453 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 14.7 tp -115.84 136.9 52.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.547 HG23 HG21 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.59 122.68 34.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.321 0.581 . . . . 0.0 110.108 -179.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.11 127.64 56.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.448 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.608 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -74.58 158.87 32.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.384 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -47.56 67.78 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.83 67.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 111.807 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' B' ' 544' ' ' LYS . 1.2 mm-40 -66.96 -33.55 75.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.181 0.515 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -57.22 -52.34 65.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.984 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.422 ' HA ' HD22 ' B' ' 642' ' ' LEU . 1.4 p -66.37 -34.78 78.73 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' B' ' 541' ' ' GLU . 7.5 ttpt -65.16 -44.6 88.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.268 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.15 -44.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.5 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.509 ' HB ' HD22 ' B' ' 642' ' ' LEU . 43.0 t -59.44 -47.42 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.205 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.683 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -68.63 -35.81 77.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.207 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.513 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.91 -51.03 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.111 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.1 mt -67.36 -30.23 69.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 0.0 110.598 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.44 77.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.033 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.683 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 17.0 mmt85 -68.83 -44.35 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.233 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.84 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' B' ' 632' ' ' SER . . . -77.36 -18.81 57.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.994 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.12 -71.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.475 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.4 t -76.16 125.9 87.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.76 124.66 14.02 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.327 2.018 . . . . 0.0 112.595 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . 0.619 ' HG3' ' HD1' ' B' ' 558' ' ' TYR . 0.0 OUTLIER -147.59 -3.2 0.55 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.588 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . 0.619 ' HD1' ' HG3' ' B' ' 557' ' ' ARG . 1.7 m-85 -122.23 146.47 47.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -18.06 11.79 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.621 ' CZ3' ' HA ' ' B' ' 625' ' ' LYS . 9.8 t90 -70.59 -46.25 63.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.847 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.484 HG12 ' CE3' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -124.39 134.81 25.82 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.975 178.59 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.67 60.74 7.94 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.816 2.344 . . . . 0.0 111.427 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' THR . . . . . 0.513 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -70.83 -23.17 62.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' B' ' 565' ' ' VAL . 18.7 pm0 -59.16 -35.66 73.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.553 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.3 p -87.01 -25.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.537 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.3 t -64.96 -38.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.441 ' HB3' HD11 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.64 -14.9 62.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.38 0.61 . . . . 0.0 110.141 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . 0.441 ' HD2' HG22 ' B' ' 565' ' ' VAL . 1.4 t60 -91.56 -17.09 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.498 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.887 HG21 ' HB3' ' B' ' 577' ' ' ARG . 82.8 mt -74.35 136.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.883 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -89.97 114.07 59.46 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -63.03 3.76 0.5 Allowed 'Trans proline' 0 C--O 1.226 -0.112 0 C-N-CA 122.589 2.193 . . . . 0.0 112.011 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.535 ' H ' ' C ' ' B' ' 570' ' ' LEU . 82.4 p -89.99 -17.5 27.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.306 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.71 -17.7 52.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.495 0.664 . . . . 0.0 109.928 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.18 -136.0 10.62 Favored Glycine 0 N--CA 1.437 -1.296 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' B' ' 602' ' ' MET . 0.1 OUTLIER -124.26 -5.28 7.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.93 0.365 . . . . 0.0 110.592 179.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -58.95 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.575 -178.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.887 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -61.87 -37.61 85.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.334 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.675 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 28.0 t80 -65.08 -43.13 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.713 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -65.44 -41.64 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 22.8 m -59.99 -38.56 82.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.425 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -55.88 -42.98 76.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.82 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.589 HG13 ' HB2' ' B' ' 584' ' ' ALA . 20.3 pt -96.91 6.21 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.631 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.83 41.51 4.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.855 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.589 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -94.8 49.75 1.26 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.72 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.6 -11.09 64.86 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.412 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.64 -32.02 8.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.212 0.53 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.18 -23.18 59.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.519 ' HB3' HD21 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -58.53 -26.06 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.701 179.293 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.495 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.91 -34.11 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.411 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.495 ' N ' HG12 ' B' ' 589' ' ' VAL . 1.4 mm? -64.66 -36.53 84.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.975 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 62.6 m-85 -68.24 -45.26 73.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.629 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.07 -39.6 86.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.005 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.92 87.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.118 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.4 ' HB3' HD12 ' B' ' 596' ' ' ILE . 6.7 t-20 -81.78 -12.2 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.295 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.04 18.5 36.79 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.418 HG21 HD22 ' B' ' 575' ' ' LEU . 5.2 mt -98.91 100.61 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.687 0.28 . . . . 0.0 110.869 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.16 16.5 0.64 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.053 0.454 . . . . 0.0 110.773 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.49 172.45 7.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.293 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -80.96 141.45 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.095 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.55 -30.44 2.23 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.42 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 605' ' ' GLU . 4.5 t70 -58.72 -44.93 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.605 ' HB3' HD23 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.27 -45.18 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.588 0.232 . . . . 0.0 110.91 -179.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.85 -40.6 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.527 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -65.8 -40.44 91.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -65.08 -33.97 77.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.698 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.446 ' HB2' HD12 ' B' ' 612' ' ' ILE . 19.3 t80 -66.36 -38.36 87.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.415 0.626 . . . . 0.0 109.832 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.7 -42.65 73.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -76.51 -38.47 55.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.617 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -110.78 -57.14 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 84.71 -28.06 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 124.092 0.87 . . . . 0.0 110.833 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -105.58 32.37 4.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.609 0.718 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.446 HD12 ' HB2' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -55.09 -59.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.124 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.4 m-85 -57.8 -39.12 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.146 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.55 -41.68 92.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.211 0.529 . . . . 0.0 110.374 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -70.55 -43.34 69.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.476 HD13 HD13 ' B' ' 618' ' ' ILE . 42.6 pt -67.99 -26.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.745 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.62 31.98 2.62 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.002 -1.094 . . . . 0.0 114.06 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.575 HG21 ' N ' ' B' ' 619' ' ' ASP . 21.6 mm -66.81 145.5 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.575 ' N ' HG21 ' B' ' 618' ' ' ILE . 1.2 t70 -64.82 121.3 14.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.089 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -63.6 -22.47 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.3 m -71.63 -18.91 62.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.102 0.477 . . . . 0.0 110.716 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.557 ' HG3' ' OD2' ' B' ' 619' ' ' ASP . 28.7 mtmm -124.0 0.97 8.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.614 HD13 ' HE2' ' B' ' 627' ' ' TYR . 1.8 tp -53.83 -44.12 70.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.613 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.564 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -60.67 -47.16 87.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.643 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.621 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.819 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.95 -51.0 71.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.629 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 5.9 m-85 -65.46 -34.29 77.93 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.851 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.572 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 29.4 tp10 -61.31 -50.9 71.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.177 0.513 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.675 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -65.57 -37.92 88.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.698 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -49.05 79.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.437 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.668 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 2.8 mm? -66.02 -46.59 77.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' HB1' ' B' ' 553' ' ' ALA . 68.8 m -61.61 -36.85 81.89 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.335 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 -46.38 88.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.92 -39.42 89.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.488 ' HD2' ' CD1' ' B' ' 549' ' ' LEU . 3.5 mmt85 -61.03 -44.4 97.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.059 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.441 HD11 ' HB3' ' B' ' 567' ' ' SER . 52.0 mt -62.78 -46.6 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.923 0.392 . . . . 0.0 110.506 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.79 -46.83 84.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.315 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -38.38 82.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.47 -24.03 64.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.192 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 22.6 mtt -63.44 -36.58 84.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.267 0.556 . . . . 0.0 109.627 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -95.71 -11.17 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 2.4 tp -73.2 122.18 87.0 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.637 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.1 -83.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.023 2.482 . . . . 0.0 110.881 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.567 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.082 0.468 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 -178.08 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.501 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.4 OUTLIER -145.4 160.12 42.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -178.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.99 152.37 31.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.425 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -114.38 137.12 52.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 131.9 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.132 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 116.24 20.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 21.6 tp -102.02 142.19 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.856 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' THR . . . . . 0.618 HG21 HG21 ' B' ' 534' ' ' THR . 0.1 OUTLIER -91.76 122.16 34.06 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.062 0.458 . . . . 0.0 110.176 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.528 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -115.7 132.56 56.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -178.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 96.5 p -81.17 155.96 25.93 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.636 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -57.9 -28.04 63.87 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.026 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.23 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -82.67 -28.31 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.346 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.528 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 52.6 t80 -52.96 -50.81 63.32 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.771 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.61 ' HB ' ' HG3' ' A' ' 644' ' ' LYS . 2.3 p -67.73 -34.78 77.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.282 0.563 . . . . 0.0 110.959 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . 0.637 ' HD2' ' HZ ' ' B' ' 548' ' ' PHE . 0.1 OUTLIER -64.62 -44.73 89.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.4 -42.07 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.827 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.526 ' HB ' HD21 ' A' ' 642' ' ' LEU . 45.6 t -60.69 -49.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -68.59 -32.06 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.76 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.6 t80 -63.44 -49.58 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.217 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -71.38 -27.17 63.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.89 74.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.4 mmt-85 -65.4 -43.65 89.96 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 109.346 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.86 -37.21 81.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.262 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' A' ' 636' ' ' ILE . . . -76.73 -23.85 53.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -73.45 -28.39 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 110.478 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.51 HG13 ' HD2' ' A' ' 556' ' ' PRO . 70.7 t -105.7 144.53 29.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.481 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 6.9 Cg_endo -53.67 125.99 20.4 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.361 1.374 . . . . 0.0 109.921 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 557' ' ' ARG . 2.2 ttt-85 -117.97 -6.58 10.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . 0.744 ' HB2' HG12 ' A' ' 561' ' ' VAL . 88.7 m-85 -139.47 160.68 39.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.53 17.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.797 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -87.39 -24.6 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.744 HG12 ' HB2' ' A' ' 558' ' ' TYR . 7.1 p -121.93 122.5 27.69 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.45 0.643 . . . . 0.0 111.281 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.35 91.95 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.871 2.381 . . . . 0.0 112.082 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.61 -22.26 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.251 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.645 ' HB3' ' HD3' ' A' ' 556' ' ' PRO . 16.3 pm0 -59.22 -43.05 92.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.313 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.5 p -75.38 -29.6 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.102 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.59 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -65.95 -40.77 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.148 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -13.78 61.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.404 0.621 . . . . 0.0 110.347 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.1 -13.76 37.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.77 HG23 ' HB3' ' A' ' 577' ' ' ARG . 22.0 mt -80.46 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.496 0.665 . . . . 0.0 111.425 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.6 OUTLIER -103.87 120.17 52.16 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 570' ' ' LEU . 19.4 Cg_endo -60.58 -4.1 3.13 Favored 'Trans proline' 0 N--CA 1.47 0.145 0 C-N-CA 122.779 2.319 . . . . 0.0 111.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 570' ' ' LEU . 51.1 p -80.88 -14.77 57.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.881 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.7 OUTLIER -94.67 3.1 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.817 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 102.06 -144.43 16.29 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.412 HD21 HG21 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -125.41 -7.45 6.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.742 0.305 . . . . 0.0 110.388 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -35.5 65.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.269 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.77 ' HB3' HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.34 -39.69 81.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.472 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.54 -41.69 98.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.969 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.5 m -61.07 -41.18 96.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.567 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' A' ' 565' ' ' VAL . . . -56.43 -40.01 74.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.934 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 8.3 pt -94.96 5.29 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.916 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.79 41.37 6.94 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.632 0.729 . . . . 0.0 110.396 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 579' ' ' LEU . . . -90.5 45.43 1.26 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.8 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 586' ' ' HIS . . . -60.93 127.76 43.6 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.24 -0.981 . . . . 0.0 111.338 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 585' ' ' GLY . 55.7 t-80 86.96 -23.73 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.066 0.947 . . . . 0.0 112.032 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.462 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 0.9 OUTLIER -66.39 -24.35 66.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.458 0.647 . . . . 0.0 109.533 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.496 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -59.27 -25.01 63.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.211 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.23 -33.84 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.414 ' N ' HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.81 -38.81 92.5 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 74.2 m-85 -68.33 -43.39 77.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.314 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.66 -37.78 73.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.368 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.63 91.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.332 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -83.59 -11.23 57.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.42 16.82 48.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.143 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 6.5 mt -96.95 92.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.776 0.322 . . . . 0.0 111.021 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.1 25.89 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.174 0.511 . . . . 0.0 110.151 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.15 172.49 12.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.092 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.45 ' HB3' ' HA ' ' A' ' 572' ' ' THR . 7.0 ptp -79.86 147.29 31.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.241 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.46 -44.69 3.24 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.39 -48.53 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.155 0.582 . . . . 0.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.406 ' HE2' ' HB3' ' A' ' 575' ' ' LEU . 2.4 ttt -58.39 -47.36 84.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.673 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.3 mp -68.42 -40.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -44.76 95.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.432 ' HB3' HG23 ' A' ' 612' ' ' ILE . 3.1 mm-40 -66.39 -34.11 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.111 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -66.67 -37.24 84.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 0.0 110.404 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 51.0 mt-10 -62.7 -43.44 98.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.665 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -78.17 -41.17 35.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.867 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -126.78 131.58 51.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.621 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.03 -1.75 57.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.041 0.448 . . . . 0.0 110.104 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 614' ' ' GLU . 17.6 p-10 -122.11 38.7 4.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.383 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 605' ' ' GLU . 0.8 OUTLIER -55.91 -51.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.145 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.56 -38.25 83.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.693 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . 0.483 ' HG3' ' HH ' ' A' ' 627' ' ' TYR . 5.4 mt-10 -67.8 -37.25 81.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.752 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -42.88 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.559 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.5 pt -72.42 -26.18 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.16 33.33 2.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.172 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.5 HG21 ' N ' ' A' ' 619' ' ' ASP . 18.7 mm -66.91 145.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.5 ' N ' HG21 ' A' ' 618' ' ' ILE . 11.0 t70 -65.45 129.34 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.535 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -59.48 -37.85 79.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' SER . . . . . 0.428 ' HG ' ' CG ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.14 -14.95 28.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 112.108 -179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.604 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 7.7 mtpt -125.68 -5.7 6.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.535 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 14.4 tp -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.729 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.23 95.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.14 -35.13 79.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.604 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -65.28 -44.7 87.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.717 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.483 ' HH ' ' HG3' ' A' ' 614' ' ' GLU . 12.9 m-85 -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.115 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.01 -49.88 68.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.254 0.549 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.053 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.412 ' HE2' ' CD1' ' A' ' 612' ' ' ILE . 0.9 OUTLIER -63.62 -48.89 75.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.727 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 635' ' ' ARG . 3.5 mm? -59.95 -44.35 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.7 m -60.53 -39.44 87.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.809 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.42 -43.99 97.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.623 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.85 -38.25 87.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 17.8 mmt180 -61.14 -45.62 93.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.149 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 553' ' ' ALA . 13.9 mt -68.83 -45.55 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.706 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.66 82.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.111 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.99 -35.46 78.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.327 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.576 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.082 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.1 mtm -66.06 -34.98 79.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.44 0.638 . . . . 0.0 109.597 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -6.08 41.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.157 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 2.3 tp -78.76 123.45 85.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.677 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 50.12 2.57 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.95 2.433 . . . . 0.0 111.764 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.61 ' HG3' ' HB ' ' A' ' 543' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.592 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.088 0.471 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.59 146.15 54.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.671 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.636 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.4 p90 -131.06 153.15 49.6 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 111.018 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 1.3 m -74.02 129.32 37.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -88.3 149.27 23.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.332 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -136.97 143.4 42.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.966 0.413 . . . . 0.0 110.96 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' THR . . . . . 0.618 HG21 HG21 ' A' ' 536' ' ' THR . 0.0 OUTLIER -91.59 126.94 36.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 178.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 9.5 tp -107.25 148.28 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 119.79 31.1 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' B' ' 542' ' ' TYR . 2.2 mm? -121.63 120.81 35.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.209 -178.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.55 157.57 26.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -53.1 -40.88 64.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 118.992 0.814 . . . . 0.0 112.444 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.83 90.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.822 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.54 -31.75 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 0.0 110.939 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.484 ' HA ' HD13 ' B' ' 537' ' ' LEU . 78.4 t80 -56.98 -51.67 68.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.735 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.534 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 4.5 p -63.84 -35.53 80.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -65.46 -44.72 86.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.34 -46.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.507 ' HB ' HD22 ' B' ' 642' ' ' LEU . 78.7 t -59.82 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.0 -37.08 85.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.637 ' HZ ' ' HD2' ' A' ' 544' ' ' LYS . 1.0 OUTLIER -58.63 -48.79 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.479 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.5 mt -71.52 -32.58 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.78 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 1.7 mmm-85 -63.99 -43.96 94.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -34.79 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.844 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.56 ' HA ' HG23 ' B' ' 563' ' ' THR . . . -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.651 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -72.96 -55.26 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.062 0.458 . . . . 0.0 109.825 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . 0.462 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 2.5 t -100.31 110.12 58.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 555' ' ' VAL . 2.9 Cg_endo -46.88 127.16 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.077 2.518 . . . . 0.0 113.355 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 25.29 0.51 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.37 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -108.95 162.06 14.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.415 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' THR . . . . . 0.509 ' HB ' ' CD1' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -64.85 -33.19 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.509 ' CD1' ' HB ' ' B' ' 559' ' ' THR . 1.5 p-90 -155.72 -167.77 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.199 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.492 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.9 OUTLIER 76.62 130.35 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.944 0.778 . . . . 0.0 110.874 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 4.3 Cg_exo -77.05 68.93 7.23 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.156 2.571 . . . . 0.0 111.541 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' THR . . . . . 0.56 HG23 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -64.97 -35.08 80.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.657 -179.248 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.515 ' HG2' ' H ' ' B' ' 565' ' ' VAL . 1.6 pm0 -58.51 -50.11 74.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.515 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 8.3 p -73.14 -29.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.544 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.0 OUTLIER -67.39 -40.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.438 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.576 . . . . 0.0 110.218 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -83.15 -15.29 51.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.96 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.764 HG23 ' HB3' ' B' ' 577' ' ' ARG . 56.1 mt -74.47 133.25 31.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.316 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.5 OUTLIER -88.71 117.84 68.73 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.0 7.36 0.13 Allowed 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 123.012 2.475 . . . . 0.0 113.144 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.9 p -89.15 -17.28 29.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.27 -25.01 39.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.432 0.634 . . . . 0.0 110.496 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 123.69 -125.05 5.75 Favored Glycine 0 N--CA 1.437 -1.297 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' B' ' 602' ' ' MET . 0.1 OUTLIER -131.69 -10.65 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.995 0.397 . . . . 0.0 111.495 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 0.2 OUTLIER -55.53 -39.48 70.58 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.764 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -63.46 -37.67 88.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.553 179.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.835 ' HE1' ' HB1' ' B' ' 629' ' ' ALA . 26.0 t80 -65.05 -41.81 94.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.31 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -42.29 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.49 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -60.96 -40.16 92.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.442 ' HB3' ' CG1' ' B' ' 565' ' ' VAL . . . -57.98 -47.12 83.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.148 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.528 HG13 ' HB1' ' B' ' 584' ' ' ALA . 16.1 pt -86.23 8.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.05 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.24 34.27 10.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.451 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.528 ' HB1' HG13 ' B' ' 582' ' ' ILE . . . -78.63 -68.26 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.193 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.2 -62.41 2.59 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -89.47 -16.58 30.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.571 ' CG ' ' HH ' ' B' ' 626' ' ' TYR . 0.9 OUTLIER -62.12 -24.86 67.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.555 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -58.23 -25.37 61.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.123 0.487 . . . . 0.0 110.375 179.178 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -33.97 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.295 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.511 ' O ' ' HB ' ' B' ' 616' ' ' ILE . 0.7 OUTLIER -67.92 -37.99 82.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.622 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 80.1 m-85 -66.71 -39.12 87.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.597 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.625 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.64 97.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.372 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.528 ' HB3' HD13 ' B' ' 596' ' ' ILE . 24.3 t30 -83.11 -11.18 58.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.812 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.32 31.42 9.67 Favored Glycine 0 CA--C 1.508 -0.372 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.009 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.622 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 2.7 mt -109.64 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 120.756 0.312 . . . . 0.0 111.341 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -154.92 13.02 0.39 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.19 173.15 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.94 145.51 31.22 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.259 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.5 -38.18 2.46 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.315 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' B' ' 604' ' ' ARG . 4.8 t70 -62.31 -44.19 97.07 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.683 0.393 . . . . 0.0 111.639 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.408 ' HB3' HD21 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -62.16 -41.69 98.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.46 -40.0 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -62.1 -41.15 97.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' B' ' 612' ' ' ILE . 4.6 mm-40 -67.97 -35.67 78.76 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.419 ' HA ' HD11 ' B' ' 612' ' ' ILE . 27.7 t80 -68.75 -37.67 79.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 0.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.2 -45.29 88.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.246 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.73 -38.2 33.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.712 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -119.9 128.42 53.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.734 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.96 3.59 44.43 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.07 22.18 11.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.23 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.551 HG22 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -49.44 -58.96 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.61 -41.56 81.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.765 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.477 ' HG2' HD12 ' B' ' 623' ' ' LEU . 0.0 OUTLIER -68.36 -38.13 81.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.274 0.559 . . . . 0.0 110.572 179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -66.55 -42.13 87.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' B' ' 590' ' ' LEU . 45.7 pt -71.9 -24.02 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.39 21.96 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.094 -1.05 . . . . 0.0 114.306 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.547 HG21 ' N ' ' B' ' 619' ' ' ASP . 14.7 mm -66.14 144.47 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.547 ' N ' HG21 ' B' ' 618' ' ' ILE . 4.2 t70 -64.85 124.98 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.792 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.8 OUTLIER -57.97 -29.17 65.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.345 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.28 60.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.913 0.387 . . . . 0.0 111.314 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -117.07 -7.27 11.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' B' ' 614' ' ' GLU . 1.5 tp -54.05 -44.41 71.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.636 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -47.89 83.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.233 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.413 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 1.7 tttt -67.88 -38.42 83.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.571 ' HH ' ' CG ' ' B' ' 587' ' ' ASP . 3.1 m-85 -65.24 -48.3 73.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.66 -32.7 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.28 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.38 -51.23 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.588 . . . . 0.0 109.415 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.835 ' HB1' ' HE1' ' B' ' 578' ' ' PHE . . . -68.21 -41.01 81.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.708 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.25 -49.93 75.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.169 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.4 mm? -62.87 -45.09 94.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.866 0.365 . . . . 0.0 110.519 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.456 ' HB3' ' HB3' ' B' ' 553' ' ' ALA . 17.5 m -63.89 -37.61 88.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.785 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -60.92 -42.6 98.43 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.4 -41.44 93.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 23.8 mmt180 -61.79 -45.58 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 30.0 mt -62.12 -47.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.666 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.513 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -57.66 -45.43 85.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.327 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.588 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -71.06 -35.54 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.975 -179.533 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.705 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.23 -25.35 65.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.568 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.9 mmt -66.24 -41.15 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.378 0.608 . . . . 0.0 110.067 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -6.28 39.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.76 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.705 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 7.0 tp -54.53 116.46 10.91 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.154 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -81.42 72.09 6.57 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.814 2.342 . . . . 0.0 111.664 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 121.5 0.667 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.56 137.04 41.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.091 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.609 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 2.0 p90 -115.08 147.93 39.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.165 0.507 . . . . 0.0 111.152 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.72 138.38 44.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.601 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -101.06 132.52 46.45 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.316 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -115.19 126.26 54.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' THR . . . . . 0.418 ' HB ' HG21 ' B' ' 534' ' ' THR . 0.0 OUTLIER -84.72 98.06 10.02 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.181 0.515 . . . . 0.0 110.369 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.44 145.94 27.89 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.185 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.16 120.11 31.83 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.1 mm? -119.4 126.76 52.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 156.1 39.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -33.03 64.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.555 0.616 . . . . 0.0 112.498 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.43 66.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.89 -30.7 35.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.133 0.492 . . . . 0.0 111.671 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 537' ' ' LEU . 72.4 t80 -55.04 -45.78 75.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.249 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.663 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.2 p -67.33 -33.1 74.55 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.899 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -44.68 83.91 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.045 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.79 -43.2 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 111.473 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.81 HG11 ' HB3' ' A' ' 638' ' ' GLU . 45.0 t -60.08 -50.13 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.74 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.702 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -64.33 -39.06 93.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.406 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.528 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 4.7 t80 -58.49 -51.32 70.34 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.62 0.575 . . . . 0.0 111.295 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.56 ' HB3' ' NE ' ' A' ' 635' ' ' ARG . 19.8 mt -71.69 -26.22 62.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.786 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.89 75.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.702 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.7 mmt85 -63.24 -48.69 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.414 0.626 . . . . 0.0 110.181 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.12 -34.35 76.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.453 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 636' ' ' ILE . . . -78.28 -17.79 56.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -82.82 -33.46 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.08 155.69 46.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.27 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.04 127.84 25.67 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.34 1.36 . . . . 0.0 108.649 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.51 -27.33 0.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -85.3 160.08 19.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.819 0.342 . . . . 0.0 110.531 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -68.63 -42.55 77.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.749 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.496 ' O ' ' HB ' ' A' ' 561' ' ' VAL . 15.1 p-90 -135.8 178.12 7.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.935 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 560' ' ' TRP . 1.0 OUTLIER 80.72 121.05 0.03 OUTLIER Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 109.966 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 15.6 Cg_exo -68.63 84.24 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.24 2.627 . . . . 0.0 111.822 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -45.85 20.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.074 -178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.92 -49.99 73.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 569' ' ' ILE . 8.6 p -65.83 -31.8 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.681 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.579 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.91 -42.24 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.178 -179.539 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.46 ' HB3' HD12 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -73.53 -14.86 61.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.281 0.562 . . . . 0.0 110.283 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -16.56 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.898 HG23 ' HB3' ' A' ' 577' ' ' ARG . 59.4 mt -74.58 133.27 31.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.966 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.501 HD12 ' HD2' ' A' ' 571' ' ' PRO . 4.7 tp -89.03 115.52 63.84 Favored Pre-proline 0 N--CA 1.437 -1.097 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.608 ' O ' ' HB2' ' A' ' 599' ' ' MET . 18.6 Cg_endo -59.06 -1.68 0.93 Allowed 'Trans proline' 0 CA--C 1.522 -0.111 0 C-N-CA 123.018 2.478 . . . . 0.0 112.832 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 570' ' ' LEU . 63.4 p -79.5 -17.04 54.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.59 -15.59 54.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.773 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 110.21 -122.08 6.19 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.402 HD23 ' CG2' ' A' ' 596' ' ' ILE . 0.1 OUTLIER -129.58 -4.0 4.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.4 -42.85 74.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.898 ' HB3' HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.57 -37.84 80.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.935 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.451 ' HA ' HD13 ' A' ' 569' ' ' ILE . 56.4 t80 -63.2 -47.42 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.207 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.18 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.234 0.54 . . . . 0.0 109.723 179.101 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.7 m -60.59 -39.1 86.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.322 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 565' ' ' VAL . . . -57.43 -42.67 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.804 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.51 HG13 ' HB2' ' A' ' 584' ' ' ALA . 3.0 pt -94.48 9.09 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp 62.1 41.85 10.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.709 ' HB3' HD13 ' A' ' 579' ' ' LEU . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.84 -15.64 58.22 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.115 -0.564 . . . . 0.0 114.254 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -110.01 -4.99 15.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.666 0.733 . . . . 0.0 111.672 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.471 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-20 -74.76 -23.67 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.12 -25.65 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.447 HG13 HD21 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.17 -33.51 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.659 178.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 589' ' ' VAL . 0.6 OUTLIER -71.99 -40.23 68.71 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.068 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.596 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 84.5 m-85 -67.46 -41.95 83.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.958 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -58.45 -36.09 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.45 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.15 93.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.154 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.511 ' HB3' HD12 ' A' ' 596' ' ' ILE . 30.6 t30 -85.51 -9.91 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.811 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.56 25.65 27.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.292 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.596 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 4.4 mt -100.94 103.13 14.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.792 0.329 . . . . 0.0 111.291 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.64 17.61 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.72 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.39 171.75 10.19 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.608 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -80.67 133.97 35.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.427 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 85.25 -29.19 4.4 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.561 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -45.75 91.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.52 92.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -42.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -62.63 -40.47 97.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 6.3 mm-40 -67.57 -33.81 75.78 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 59.9 t80 -66.92 -40.16 87.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.996 0.427 . . . . 0.0 109.976 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.93 -49.8 48.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -17.15 56.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m-70 -123.61 -62.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 80.84 -30.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.01 0.819 . . . . 0.0 110.139 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.504 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 48.7 p-10 -101.1 25.75 7.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.695 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -52.15 -59.75 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.698 -179.092 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.415 ' HA ' HG12 ' A' ' 616' ' ' ILE . 3.0 m-85 -57.19 -38.42 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.235 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -43.21 83.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.285 0.564 . . . . 0.0 110.574 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -70.05 -42.93 72.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.957 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.415 HG12 ' HA ' ' A' ' 613' ' ' PHE . 48.3 pt -66.43 -26.64 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.656 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.81 25.78 4.11 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.866 -1.159 . . . . 0.0 114.589 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 619' ' ' ASP . 15.4 mm -66.8 142.75 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.743 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 26.4 t70 -65.16 133.53 51.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.602 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.85 -29.07 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.294 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 -6.87 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.0 0.429 . . . . 0.0 111.123 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.743 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 12.7 mtpt -121.52 -6.83 9.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.96 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -53.97 -45.59 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -44.87 96.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.412 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -68.86 -36.9 78.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.496 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -69.47 -47.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.504 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 5.0 m-85 -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 0.0 111.281 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.6 -49.58 70.56 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.025 0.441 . . . . 0.0 110.818 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.89 80.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.419 ' HE2' HD12 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.18 -48.09 83.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.622 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.3 OUTLIER -59.02 -44.59 91.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.071 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -41.75 86.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.201 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -61.93 -46.34 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.406 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.96 -39.36 94.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.622 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.9 mtp180 -59.72 -45.5 91.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.748 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 567' ' ' SER . 13.5 mt -70.17 -44.23 78.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.69 -39.79 77.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.169 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.81 ' HB3' HG11 ' A' ' 546' ' ' VAL . 2.8 tp10 -71.64 -38.11 70.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.33 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.08 -38.39 85.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.486 0.66 . . . . 0.0 110.164 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -5.24 44.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.956 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -62.63 133.21 94.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . 0.407 ' HD2' HG22 ' A' ' 543' ' ' THR . 72.3 Cg_endo -79.23 -1.49 11.59 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.6 2.2 . . . . 0.0 111.387 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.386 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.551 0.691 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -140.68 158.9 43.3 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.15 149.9 34.85 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.754 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.69 137.82 33.59 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.206 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -88.02 130.12 35.07 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -116.26 131.01 57.06 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.31 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' THR . . . . . 0.418 HG21 ' HB ' ' A' ' 534' ' ' THR . 0.0 OUTLIER -79.73 122.16 26.24 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 542' ' ' TYR . 12.5 tp -112.49 134.49 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.62 120.88 32.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.247 0.546 . . . . 0.0 110.935 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -120.41 134.18 55.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.27 154.82 34.86 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.609 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -56.97 -40.41 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.057 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.42 84.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.43 -31.19 33.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.668 ' HH ' ' HG2' ' B' ' 638' ' ' GLU . 84.9 t80 -56.43 -51.57 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.052 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.456 ' HA ' HD23 ' B' ' 642' ' ' LEU . 13.4 p -61.87 -33.89 75.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.013 0.435 . . . . 0.0 111.479 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -44.97 75.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 29.9 t -71.92 -42.79 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.568 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' B' ' 642' ' ' LEU . 55.4 t -59.66 -50.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.783 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.62 -37.34 87.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.565 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.499 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.1 t80 -59.35 -48.31 82.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.14 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.933 ' HB3' ' HD3' ' B' ' 635' ' ' ARG . 21.1 mt -71.39 -30.22 65.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.207 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' B' ' 636' ' ' ILE . . . -63.27 -35.41 80.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.9 mmt180 -68.49 -40.19 81.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.662 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.2 -35.74 81.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.01 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.527 ' HB2' HD12 ' B' ' 636' ' ' ILE . . . -78.67 -26.05 44.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.618 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.408 ' HE3' HG22 ' B' ' 636' ' ' ILE . 43.6 mttt -79.22 -38.79 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.461 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.93 156.71 34.83 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -70.7 125.14 11.35 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 N-CA-C 108.845 -1.252 . . . . 0.0 108.845 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 25.14 0.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.699 0.761 . . . . 0.0 110.382 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -137.53 139.81 40.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.673 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -4.26 47.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.586 0.708 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.437 ' O ' ' HB ' ' B' ' 561' ' ' VAL . 26.3 p-90 -149.98 160.87 43.28 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' B' ' 560' ' ' TRP . 1.0 OUTLIER 74.88 117.02 0.03 OUTLIER Pre-proline 0 C--O 1.238 0.472 0 CA-C-O 121.307 0.575 . . . . 0.0 110.253 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.566 ' HB2' HG11 ' B' ' 565' ' ' VAL . 12.9 Cg_exo -71.15 81.3 1.18 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.179 2.586 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.42 80.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.919 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.51 85.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.582 ' O ' HG13 ' B' ' 569' ' ' ILE . 8.6 p -71.64 -32.91 47.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.01 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.57 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.55 -41.57 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.467 -179.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.421 ' HB3' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -72.14 -21.9 61.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.443 0.639 . . . . 0.0 109.896 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -79.45 -15.16 58.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.036 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.71 HG21 ' HB3' ' B' ' 577' ' ' ARG . 69.5 mt -74.5 140.43 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.298 0.571 . . . . 0.0 111.289 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -98.5 117.54 64.53 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 176.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' B' ' 599' ' ' MET . 27.8 Cg_endo -61.83 -2.9 3.14 Favored 'Trans proline' 0 C--N 1.336 -0.106 0 C-N-CA 122.468 2.112 . . . . 0.0 111.998 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.468 ' H ' ' C ' ' B' ' 570' ' ' LEU . 70.2 p -80.32 -14.42 58.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.045 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.4 OUTLIER -92.34 -1.89 56.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.081 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 107.08 -144.1 15.87 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.403 HD22 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -121.01 -8.4 9.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.12 71.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.71 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.38 -38.33 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.741 ' HE1' ' HB1' ' B' ' 629' ' ' ALA . 14.2 t80 -66.83 -42.63 85.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.649 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' B' ' 579' ' ' LEU . 0.2 OUTLIER -65.78 -42.68 90.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.784 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 25.1 m -61.07 -38.87 87.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.316 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -55.82 -39.04 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.562 HG13 ' HB3' ' B' ' 584' ' ' ALA . 17.6 pt -99.21 6.77 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.47 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.29 43.06 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.92 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.735 ' HB2' ' OH ' ' B' ' 626' ' ' TYR . . . -95.05 47.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.995 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.41 63.29 2.61 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.561 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.36 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 0.0 109.208 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.42 ' HA ' ' CD2' ' B' ' 590' ' ' LEU . 2.3 m-20 -68.1 -23.65 64.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.453 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.43 -25.42 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.593 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.496 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.4 OUTLIER -64.69 -34.02 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.328 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.496 ' N ' HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -63.01 -36.93 85.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.485 0.66 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 78.7 m-85 -67.61 -44.04 79.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.373 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.12 -36.92 76.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.014 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.11 97.95 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.796 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.547 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.4 t30 -81.48 -13.15 58.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.01 15.14 55.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.94 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.547 HG13 ' HB3' ' B' ' 594' ' ' ASN . 8.6 mt -88.93 101.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.282 . . . . 0.0 110.881 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.71 19.02 0.27 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.177 0.513 . . . . 0.0 109.966 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.8 171.31 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.584 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.83 133.05 35.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.307 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' B' ' 604' ' ' ARG . . . 87.2 -29.63 5.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.26 -43.95 98.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.569 0.223 . . . . 0.0 111.502 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -42.57 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.517 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.474 HD12 ' HG2' ' B' ' 637' ' ' GLN . 1.2 mp -69.12 -40.8 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.135 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.513 ' HG3' ' HE3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -61.08 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.389 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.771 ' HB3' HG22 ' B' ' 612' ' ' ILE . 1.1 mm-40 -68.04 -32.8 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.82 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.407 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 88.3 t80 -67.3 -38.91 85.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.078 0.466 . . . . 0.0 110.317 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.81 -42.36 61.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.513 ' HE3' ' HG3' ' B' ' 604' ' ' ARG . 3.4 mtmp? -77.3 -31.96 55.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 3.8 m-70 -117.28 -62.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -176.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 84.13 -23.04 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.378 1.049 . . . . 0.0 110.196 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.42 25.86 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.609 . . . . 0.0 109.813 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.771 HG22 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -52.79 -57.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.401 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.8 m-85 -58.01 -42.32 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.866 0.365 . . . . 0.0 111.271 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.73 -37.46 86.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.317 0.58 . . . . 0.0 110.156 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -69.14 -43.11 75.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.807 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 47.9 pt -72.38 -21.66 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.91 27.92 4.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.856 -1.164 . . . . 0.0 113.732 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 22.3 mm -67.03 145.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.458 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 16.5 t0 -64.87 121.48 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.317 . . . . 0.0 111.046 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 3.1 m -60.44 -30.29 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.033 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -14.62 63.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.519 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 27.9 mtpt -119.94 -1.93 10.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.705 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 0.5 OUTLIER -54.0 -44.42 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.775 -178.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.3 86.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.061 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.407 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -66.82 -38.84 87.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.735 ' OH ' ' HB2' ' B' ' 584' ' ' ALA . 2.7 m-85 -65.7 -50.83 63.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.38 -32.13 73.61 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.433 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -62.33 -48.77 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.741 ' HB1' ' HE1' ' B' ' 578' ' ' PHE . . . -66.52 -37.5 85.16 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.606 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -47.65 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.102 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.511 ' O ' ' HG3' ' B' ' 635' ' ' ARG . 0.6 OUTLIER -61.5 -40.83 96.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 39.0 m -57.65 -46.16 84.55 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.746 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -42.16 98.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.562 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -66.94 -37.99 85.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.933 ' HD3' ' HB3' ' B' ' 549' ' ' LEU . 39.8 mtt180 -58.26 -45.7 87.33 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.399 0.619 . . . . 0.0 109.799 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.527 HD12 ' HB2' ' B' ' 553' ' ' ALA . 10.0 mt -71.1 -47.03 63.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.474 ' HG2' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -59.49 -44.0 93.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.726 -179.132 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.668 ' HG2' ' HH ' ' B' ' 542' ' ' TYR . 7.4 tp10 -64.19 -35.11 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -66.8 -22.42 66.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.51 -33.37 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . 0.578 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -89.59 -10.68 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.42 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 2.0 tp -73.43 126.21 90.14 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.649 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.442 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 91.9 Cg_endo -87.87 -140.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.891 2.394 . . . . 0.0 110.777 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.442 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.484 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -89.24 -43.25 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 110.483 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.632 ' HE1' ' HB3' ' B' ' 538' ' ' SER . 1.6 t80 -143.62 135.7 26.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.114 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.77 155.68 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -121.14 152.16 39.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.27 130.46 26.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.849 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 133.98 39.66 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.94 0.4 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.47 147.1 48.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' THR . . . . . 0.673 HG21 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -91.21 122.02 33.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.622 HD12 HG23 ' A' ' 545' ' ' VAL . 0.8 OUTLIER -104.98 133.36 49.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.778 -178.261 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -71.7 158.29 36.4 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -50.87 70.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.0 78.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.114 0.483 . . . . 0.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.66 -30.35 64.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.688 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' ' 538' ' ' SER . 53.6 t80 -56.22 -50.92 69.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.102 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.652 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.4 p -68.65 -34.22 75.34 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.34 -44.52 87.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.897 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.622 HG23 HD12 ' A' ' 537' ' ' LEU . 53.9 t -71.96 -44.65 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.805 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.571 ' HB ' HD22 ' A' ' 642' ' ' LEU . 55.0 t -59.77 -49.61 83.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.031 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -65.82 -32.75 74.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.95 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 0.8 OUTLIER -60.79 -47.3 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.039 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.6 mt -71.3 -27.99 63.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.055 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.6 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 7.8 mmt-85 -68.34 -36.47 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.56 -40.38 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.139 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.31 -20.05 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.169 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -83.87 -49.28 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 32.6 t -92.79 115.57 65.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.87 128.39 17.76 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.557 2.171 . . . . 0.0 112.72 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 40.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -117.76 161.64 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.428 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -113.22 -1.77 14.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.418 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 1.8 p -104.04 113.0 65.69 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.444 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.5 Cg_endo -86.32 75.9 2.75 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.336 2.691 . . . . 0.0 110.805 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -60.16 -22.54 63.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.491 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.81 -38.22 69.69 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.5 p -80.3 -28.2 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.473 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -68.76 -37.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -14.83 61.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 109.829 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.57 -18.71 30.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.333 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.715 HG12 ' HD2' ' A' ' 577' ' ' ARG . 42.2 mt -76.52 141.99 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.367 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.675 ' O ' ' HG3' ' A' ' 573' ' ' GLU . 0.8 OUTLIER -97.79 124.08 49.36 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 599' ' ' MET . 34.9 Cg_endo -67.9 19.19 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.578 2.185 . . . . 0.0 111.862 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.601 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 66.7 p -109.21 -14.31 14.51 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.806 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.675 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 1.1 mt-10 -86.84 -43.94 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 142.46 -166.33 26.49 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -94.36 -8.37 39.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 110.099 179.445 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -44.53 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.205 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.715 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.1 -37.37 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.668 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -62.04 -44.7 96.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.948 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 575' ' ' LEU . 0.4 OUTLIER -65.22 -39.97 93.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 50.4 m -61.32 -38.72 87.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.56 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.269 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.51 HG13 ' HB2' ' A' ' 584' ' ' ALA . 3.1 pt -105.1 6.99 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 43.82 4.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.203 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.774 ' HB1' ' OH ' ' A' ' 626' ' ' TYR . . . -115.17 45.75 1.58 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.936 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -60.63 -27.98 67.11 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.757 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -84.78 -27.13 27.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.041 0.448 . . . . 0.0 111.407 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -74.32 -22.96 59.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.169 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.537 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.99 -25.2 60.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.43 HG11 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.83 -33.71 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.385 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.43 HD22 HG11 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -64.52 -35.57 81.39 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.532 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.625 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 57.1 m-85 -67.73 -41.65 83.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.708 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.57 -35.83 70.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.718 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.31 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.505 ' HB3' HD13 ' A' ' 596' ' ' ILE . 9.3 t30 -79.21 -13.3 59.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.7 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.92 11.57 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.671 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.625 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 2.0 mt -108.24 101.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.585 -0.308 . . . . 0.0 110.8 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.89 8.74 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.879 0.371 . . . . 0.0 110.803 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 172.62 6.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.437 0.637 . . . . 0.0 112.536 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.601 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.29 137.75 35.77 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.644 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.04 -19.55 7.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 599' ' ' MET . 2.2 t0 -60.43 -45.26 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.15 0.58 . . . . 0.0 110.676 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.67 -40.19 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.388 -179.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -68.52 -42.44 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 109.858 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -41.59 99.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.652 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.551 ' HB3' HG23 ' A' ' 612' ' ' ILE . 5.5 mm-40 -66.61 -34.93 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.493 ' HA ' HD12 ' A' ' 612' ' ' ILE . 57.6 t80 -66.93 -38.62 86.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.469 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.93 -39.46 69.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -72.63 -36.43 68.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.774 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -120.04 -134.46 0.32 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.0 -29.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.09 28.99 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.754 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.551 HG23 ' HB3' ' A' ' 605' ' ' GLU . 0.4 OUTLIER -55.22 -63.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.692 -178.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -57.67 -38.56 75.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 0.0 111.352 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -45.3 80.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.867 0.365 . . . . 0.0 111.277 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -68.15 -40.34 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.623 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.402 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.9 pt -67.26 -25.46 33.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.613 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.89 24.82 4.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.145 -1.026 . . . . 0.0 114.29 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 21.2 mm -66.34 145.85 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.48 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.3 t0 -65.12 124.41 22.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.675 0.274 . . . . 0.0 110.664 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.693 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.684 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -15.97 62.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.205 0.526 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.541 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 17.2 mtpt -120.92 -4.27 9.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.441 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.693 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.3 tp -53.83 -44.19 70.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.767 -177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -43.5 94.92 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.224 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -67.82 -37.3 81.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.461 . . . . 0.0 110.884 -179.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.774 ' OH ' ' HB1' ' A' ' 584' ' ' ALA . 2.1 m-30 -67.85 -48.03 67.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.223 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.12 -35.27 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.403 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -46.67 89.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 110.158 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.9 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.4 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.1 OUTLIER -59.09 -49.99 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.947 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.02 -42.99 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.494 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 20.4 m -58.33 -46.24 86.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.663 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -40.54 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -59.48 -37.5 78.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.026 0.441 . . . . 0.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -40.88 74.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 640' ' ' MET . 89.8 mt -59.58 -45.84 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.094 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.64 -40.65 79.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.866 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -73.46 -39.47 64.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.191 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.724 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.99 -25.36 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.682 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.1 mtt -67.05 -37.79 84.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -6.52 35.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.48 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.724 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 2.8 tp -63.27 127.76 91.5 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.014 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -89.35 56.24 1.9 Allowed 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.293 2.662 . . . . 0.0 111.631 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.649 ' HG3' ' HB ' ' A' ' 543' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.564 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.457 0.17 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.78 -60.35 0.48 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.564 0.745 . . . . 0.0 112.96 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.01 130.34 54.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.388 0.613 . . . . 0.0 112.386 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 2.8 m -150.6 152.27 33.81 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.949 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -104.91 147.16 28.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.6 0.714 . . . . 0.0 112.641 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -137.91 132.11 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.372 178.542 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' THR . . . . . 0.673 HG23 HG21 ' A' ' 536' ' ' THR . 0.0 OUTLIER -73.68 115.23 12.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.604 0.716 . . . . 0.0 111.911 -178.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 13.4 tp -98.01 149.26 22.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.21 118.89 31.77 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 111.053 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.489 HD13 HG21 ' B' ' 545' ' ' VAL . 0.6 OUTLIER -123.82 141.59 51.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.902 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.632 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -89.68 158.34 17.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -45.25 94.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 119.173 0.897 . . . . 0.0 111.55 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.66 87.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.35 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -32.19 55.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.323 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.471 ' HA ' HD11 ' B' ' 537' ' ' LEU . 86.1 t80 -56.63 -50.33 72.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.851 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.501 HG23 ' HD2' ' B' ' 643' ' ' PRO . 26.1 p -61.8 -35.14 77.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.34 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -65.52 -44.58 86.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.489 HG21 HD13 ' B' ' 537' ' ' LEU . 39.7 t -70.31 -43.28 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.517 ' HB ' HD22 ' B' ' 642' ' ' LEU . 42.3 t -59.52 -49.73 82.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.41 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.204 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.612 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.1 t80 -59.17 -49.89 76.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.206 0.527 . . . . 0.0 110.418 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.612 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 5.6 mt -72.01 -28.18 63.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.26 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.2 mmt180 -66.34 -48.37 70.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.059 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.4 -39.87 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.423 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.94 -19.45 57.35 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -88.95 -21.55 23.5 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.249 -0.282 . . . . 0.0 111.718 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' B' ' 556' ' ' PRO . 3.5 m -111.21 159.84 31.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.322 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' B' ' 555' ' ' VAL . 27.9 Cg_endo -65.66 128.18 19.51 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.589 1.526 . . . . 0.0 108.613 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.51 -38.97 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.058 0.456 . . . . 0.0 111.079 -177.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . 0.614 ' HB3' HG12 ' B' ' 561' ' ' VAL . 21.7 m-85 -100.9 124.01 45.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.907 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.33 -44.74 10.01 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -69.24 -24.47 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' B' ' 558' ' ' TYR . 2.6 p -125.12 121.78 25.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.516 ' HB2' HG12 ' B' ' 565' ' ' VAL . 90.6 Cg_endo -79.3 72.81 6.32 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.84 2.36 . . . . 0.0 113.147 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -27.6 54.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.461 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -59.42 -44.96 92.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 -179.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.516 HG12 ' HB2' ' B' ' 562' ' ' PRO . 12.7 p -74.69 -26.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.122 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.0 OUTLIER -65.51 -41.27 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.934 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.487 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.53 -21.12 61.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.384 0.611 . . . . 0.0 109.846 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.92 -18.28 50.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.929 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 60.2 mt -74.63 135.38 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.593 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.7 OUTLIER -86.43 117.1 68.13 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.666 ' O ' ' HB2' ' B' ' 599' ' ' MET . 41.5 Cg_endo -68.6 22.46 0.14 Allowed 'Trans proline' 0 C--N 1.336 -0.119 0 C-N-CA 122.821 2.347 . . . . 0.0 111.946 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.593 ' H ' ' C ' ' B' ' 570' ' ' LEU . 80.7 p -111.07 -7.87 14.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.84 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' B' ' 577' ' ' ARG . 0.0 OUTLIER -96.92 -34.08 11.37 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 143.01 -147.36 18.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.609 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.407 HD22 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -118.79 -1.57 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.754 0.311 . . . . 0.0 110.303 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 6.3 pt-20 -60.29 -39.67 87.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.274 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.49 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.03 -37.79 84.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.969 0.414 . . . . 0.0 110.083 178.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.88 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.818 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -42.84 91.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.831 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.3 m -60.2 -40.62 90.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.524 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -57.87 -44.53 86.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.039 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.57 HG13 ' HB2' ' B' ' 584' ' ' ALA . 10.9 pt -91.81 8.0 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.867 -178.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 62.51 39.48 11.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.57 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -87.17 45.67 1.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.01 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.14 54.17 2.25 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.288 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -178.15 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.404 0.621 . . . . 0.0 109.38 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -24.46 66.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.364 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.66 -26.4 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.864 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.526 HG11 ' N ' ' B' ' 590' ' ' LEU . 0.9 OUTLIER -61.7 -34.12 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.526 ' N ' HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.19 -36.94 84.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.933 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' B' ' 596' ' ' ILE . 86.6 m-85 -68.07 -44.69 75.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.539 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.86 88.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.805 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.432 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.8 t30 -83.65 -10.05 58.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.339 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.98 15.92 55.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.968 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' B' ' 591' ' ' PHE . 7.4 mt -96.68 84.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.614 -0.293 . . . . 0.0 110.85 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -131.83 11.19 4.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.992 0.425 . . . . 0.0 110.274 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.63 168.81 9.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.368 0.604 . . . . 0.0 112.074 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.666 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.06 137.33 34.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.972 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.34 -23.63 5.34 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.535 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' B' ' 599' ' ' MET . 0.6 OUTLIER -59.44 -39.75 84.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 110.606 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.68 -43.08 94.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.476 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.448 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.9 mt -67.88 -41.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -46.84 88.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.701 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' B' ' 612' ' ' ILE . 6.2 mm-40 -62.85 -33.35 75.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.156 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.509 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 70.5 t80 -63.36 -41.3 98.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.54 -43.36 90.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.633 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.556 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 88.7 m-70 -119.06 -71.94 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . 0.556 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 0.1 OUTLIER 103.31 -36.91 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.455 1.502 . . . . 0.0 110.587 -179.086 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.5 43.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.702 0.763 . . . . 0.0 109.093 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.509 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -59.87 -51.96 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.906 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.464 ' HB2' ' CZ ' ' B' ' 627' ' ' TYR . 2.5 m-85 -57.93 -42.18 84.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -39.94 93.35 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.421 0.629 . . . . 0.0 110.214 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.55 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.956 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.475 HD13 HD13 ' B' ' 618' ' ' ILE . 41.3 pt -71.07 -24.37 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.41 33.5 2.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.079 -1.058 . . . . 0.0 113.775 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.596 HG21 ' N ' ' B' ' 619' ' ' ASP . 23.6 mm -66.75 145.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 117.206 0.503 . . . . 0.0 110.143 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.596 ' N ' HG21 ' B' ' 618' ' ' ILE . 0.9 OUTLIER -65.14 122.66 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.473 . . . . 0.0 110.526 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.2 m -65.26 -21.27 66.71 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -17.08 63.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.192 0.52 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.693 ' HB3' ' HD3' ' B' ' 625' ' ' LYS . 0.1 OUTLIER -129.23 2.18 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.086 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.615 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -53.16 -44.16 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.045 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.09 83.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.319 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.693 ' HD3' ' HB3' ' B' ' 622' ' ' LYS . 0.0 OUTLIER -64.04 -34.26 77.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.559 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.6 m-85 -64.6 -51.16 64.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.607 ' HE2' HD12 ' B' ' 623' ' ' LEU . 21.6 m-85 -65.03 -33.27 75.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.239 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.73 -49.36 75.34 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.05 86.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.009 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -49.88 76.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.379 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -44.15 97.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.501 . . . . 0.0 110.213 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.472 ' HA ' ' HE ' ' B' ' 635' ' ' ARG . 50.4 m -61.59 -42.98 99.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.51 96.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.53 -39.04 93.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.571 ' NH1' HD11 ' B' ' 549' ' ' LEU . 0.2 OUTLIER -65.46 -46.02 81.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.469 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.487 HD13 ' HB3' ' B' ' 567' ' ' SER . 24.8 mt -60.32 -41.87 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.439 0.638 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -46.21 89.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.467 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -37.01 85.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.351 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.661 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.46 -26.58 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.243 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -37.16 84.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.419 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -5.4 50.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.392 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.661 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.2 tp -68.82 125.83 92.22 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.726 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' B' ' 543' ' ' THR . 73.2 Cg_endo -77.27 49.83 2.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.927 2.418 . . . . 0.0 111.656 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.15 -179.583 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' THR . . . . . 0.5 ' HB ' ' HG ' ' A' ' 624' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.506 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . 0.443 ' HB2' ' CD2' ' A' ' 623' ' ' LEU . 56.3 t30 -133.24 146.66 51.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.23 158.83 16.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.017 0.437 . . . . 0.0 109.953 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.84 146.04 33.91 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.01 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 631' ' ' LEU . 22.0 m-85 -105.13 132.43 51.35 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.44 126.11 44.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 123.16 29.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.12 0.486 . . . . 0.0 110.698 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.2 tp -109.34 145.52 35.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.97 122.28 34.34 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.121 0.486 . . . . 0.0 109.916 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.453 ' CB ' ' HD1' ' A' ' 542' ' ' TYR . 1.6 mm? -118.35 130.11 55.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.436 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' B' ' 530' ' ' TYR . 95.8 p -75.86 157.16 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.447 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.65 -29.06 58.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.54 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.21 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -83.4 -30.05 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.712 179.371 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.453 ' HD1' ' CB ' ' A' ' 537' ' ' LEU . 62.1 t80 -54.2 -50.41 67.16 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.982 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.457 HG21 ' HG ' ' A' ' 642' ' ' LEU . 3.0 p -67.58 -33.76 75.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -65.84 -44.0 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 60.6 t -71.64 -43.74 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 111.827 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 642' ' ' LEU . 53.5 t -60.4 -51.11 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.241 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.84 -33.16 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.4 t80 -60.63 -50.85 71.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.6 mt -70.79 -29.76 66.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.327 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.31 77.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.6 mmt85 -63.6 -46.07 87.45 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.381 0.61 . . . . 0.0 109.47 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.04 -39.76 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.31 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.66 -22.91 65.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.12 -20.76 60.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.352 0.596 . . . . 0.0 110.631 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.73 159.79 37.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.337 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -75.22 123.93 8.12 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 N-CA-C 108.537 -1.37 . . . . 0.0 108.537 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 56.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.401 0.619 . . . . 0.0 110.675 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -132.73 162.13 32.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.163 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -58.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.502 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -153.29 52.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.176 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.9 p -158.94 121.21 1.93 Allowed Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.871 0.367 . . . . 0.0 111.032 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 5.2 Cg_exo -75.33 99.67 1.29 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.103 2.536 . . . . 0.0 111.374 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.71 -10.51 59.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.788 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.02 -50.62 70.39 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 581' ' ' ALA . 10.6 p -70.06 -29.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -69.52 -40.12 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.608 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.431 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.26 -16.8 61.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.536 0.684 . . . . 0.0 109.906 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.33 -12.03 58.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.215 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.784 HG12 ' HD2' ' A' ' 577' ' ' ARG . 26.8 mt -83.4 134.92 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.3 OUTLIER -90.31 117.15 67.8 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 599' ' ' MET . 56.2 Cg_endo -69.46 28.4 0.17 Allowed 'Trans proline' 0 N--CA 1.471 0.181 0 C-N-CA 123.026 2.484 . . . . 0.0 112.594 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 570' ' ' LEU . 67.3 p -110.45 -16.76 13.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.2 -36.16 14.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.981 0.42 . . . . 0.0 110.634 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 146.52 -144.43 12.72 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.029 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.546 HD22 ' HB3' ' A' ' 602' ' ' MET . 0.2 OUTLIER -116.1 -5.38 11.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.785 0.326 . . . . 0.0 110.523 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -44.48 81.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.537 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.784 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.86 -37.94 89.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.636 ' HA ' HD12 ' A' ' 569' ' ' ILE . 51.3 t80 -62.3 -42.29 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.957 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -64.8 -45.42 86.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.944 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 29.7 m -60.52 -37.89 82.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 110.652 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.413 ' HB3' HG13 ' A' ' 565' ' ' VAL . . . -59.88 -40.71 89.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.571 HG13 ' HB2' ' A' ' 584' ' ' ALA . 18.3 pt -96.87 9.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 65.85 40.24 4.31 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.326 0.584 . . . . 0.0 111.288 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.571 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -99.26 47.74 0.96 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.248 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.65 52.83 3.2 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.833 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.02 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 109.824 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.28 -23.24 64.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.979 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.463 ' HB3' HD21 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -57.77 -25.76 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.594 HG13 HD23 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.21 -33.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.349 0.595 . . . . 0.0 110.127 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.594 HD23 HG13 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.35 -37.91 86.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.996 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.506 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 73.6 m-85 -67.53 -42.67 82.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.35 -40.31 74.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.286 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.85 98.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.631 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.437 ' HB3' HG13 ' A' ' 596' ' ' ILE . 6.5 t30 -82.22 -10.75 59.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.2 17.32 53.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.027 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' A' ' 591' ' ' PHE . 7.9 mt -95.58 87.35 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.789 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.01 15.26 3.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.923 0.392 . . . . 0.0 110.634 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 167.99 11.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.434 0.635 . . . . 0.0 112.127 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.667 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.21 133.68 35.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.584 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.63 -29.56 6.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.997 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -37.19 83.87 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.546 ' HB3' HD22 ' A' ' 575' ' ' LEU . 0.0 OUTLIER -64.47 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.927 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.2 mp -69.68 -43.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 109.716 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.43 -46.55 89.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.732 ' HB3' HG21 ' A' ' 612' ' ' ILE . 4.6 mm-40 -65.97 -33.83 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.757 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.555 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 8.0 t80 -64.88 -42.1 95.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.451 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -75.32 -37.29 60.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.091 0.472 . . . . 0.0 110.615 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -78.17 -32.04 49.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 25.7 m-70 -110.63 -53.29 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.01 -32.2 0.1 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.931 0.893 . . . . 0.0 111.147 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.619 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 30.8 p-10 -108.7 31.54 5.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.2 OUTLIER -52.58 -58.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.864 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -57.97 -41.02 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.537 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . 0.405 ' HG3' HD22 ' A' ' 623' ' ' LEU . 1.1 mt-10 -67.97 -35.51 78.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.474 0.654 . . . . 0.0 110.041 178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -69.82 -43.06 72.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.443 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 618' ' ' ILE . 36.8 pt -72.73 -26.5 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.469 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.37 34.29 2.33 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.056 -1.068 . . . . 0.0 114.098 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.603 HG22 ' N ' ' A' ' 619' ' ' ASP . 22.0 mm -66.18 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.041 0.421 . . . . 0.0 110.12 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.603 ' N ' HG22 ' A' ' 618' ' ' ILE . 18.0 t0 -64.27 121.0 13.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.325 0.583 . . . . 0.0 110.506 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.481 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.8 OUTLIER -58.73 -31.88 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 113.22 -178.401 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -17.41 58.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' A' ' 625' ' ' LYS . 6.6 mtmm -132.63 3.36 3.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.948 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 3.4 tp -53.33 -44.19 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.5 ' HG ' ' HB ' ' A' ' 528' ' ' THR . 0.9 OUTLIER -59.64 -45.13 92.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.72 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -62.25 -36.41 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.556 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-30 -67.64 -46.09 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.489 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.619 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 12.9 m-85 -64.62 -38.92 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.453 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.43 ' HB3' HG13 ' A' ' 561' ' ' VAL . 0.4 OUTLIER -61.37 -47.49 85.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.853 0.359 . . . . 0.0 110.622 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.27 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.97 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -44.73 81.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.819 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 532' ' ' PHE . 1.9 mm? -63.5 -44.87 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.013 0.435 . . . . 0.0 111.561 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -39.55 94.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.473 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 6.2 t80 -60.16 -46.65 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.89 89.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.417 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.431 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.5 mt -63.15 -48.31 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.626 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.501 ' HG2' ' HE2' ' A' ' 641' ' ' LYS . 6.2 tt0 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.481 ' HB3' HG12 ' A' ' 546' ' ' VAL . 2.1 tp10 -64.8 -37.5 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -66.42 -29.78 70.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.522 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.0 mmt -71.43 -32.13 68.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.317 0.58 . . . . 0.0 109.873 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . 0.501 ' HE2' ' HG2' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.79 -6.0 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.507 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 546' ' ' VAL . 3.5 tp -63.03 138.61 97.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.959 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.55 134.18 10.96 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.539 2.16 . . . . 0.0 110.961 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.499 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.543 0.687 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -103.88 154.98 19.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.456 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER -108.4 126.46 52.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 143.58 57.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.166 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . 0.82 ' HZ ' HD22 ' B' ' 631' ' ' LEU . 17.9 m-85 -87.93 145.99 25.76 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.068 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -126.25 142.21 51.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.504 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.41 123.28 31.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.082 0.468 . . . . 0.0 111.786 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . 0.414 HD13 ' CE1' ' A' ' 542' ' ' TYR . 13.7 tp -110.5 142.37 42.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.531 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 120.45 32.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.453 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -122.2 124.08 42.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.04 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.87 157.16 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.47 48.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.49 74.95 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.45 -30.28 42.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 111.256 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.453 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 75.3 t80 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.292 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.42 ' HA ' HD23 ' B' ' 642' ' ' LEU . 1.7 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 111.137 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -42.5 90.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.434 HG21 HD12 ' B' ' 537' ' ' LEU . 41.4 t -70.48 -44.63 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.487 ' HB ' HD23 ' B' ' 642' ' ' LEU . 55.7 t -60.3 -50.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.627 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.741 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.76 -37.02 85.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.897 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.495 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.3 t80 -57.6 -50.86 71.76 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.366 0.416 . . . . 0.0 111.286 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -69.44 -31.26 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.76 73.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.741 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 22.1 mmt85 -66.71 -44.84 80.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.713 0.292 . . . . 0.0 110.528 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.48 -32.22 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.356 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.129 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.459 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 14.8 mtmt -76.61 -62.26 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.96 122.23 68.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -45.07 124.96 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.664 2.242 . . . . 0.0 113.149 -177.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -142.08 14.84 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.73 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.1 160.49 22.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.689 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.34 -40.26 4.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -103.19 -0.47 30.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.4 p -131.64 117.08 16.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.074 0.464 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.12 85.87 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.879 2.386 . . . . 0.0 112.048 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -20.13 34.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 7.7 pm0 -59.22 -33.53 71.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.906 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.502 ' CG1' ' HB1' ' B' ' 581' ' ' ALA . 11.3 p -81.11 -28.05 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.433 . . . . 0.0 110.207 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.534 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -69.89 -39.58 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.062 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 0.2 OUTLIER -73.79 -13.74 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.383 0.611 . . . . 0.0 110.302 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -14.71 51.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.013 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.76 HG21 ' HB3' ' B' ' 577' ' ' ARG . 8.2 mt -83.54 141.35 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.051 0.453 . . . . 0.0 111.478 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -91.08 119.12 68.88 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.649 ' O ' ' HB2' ' B' ' 599' ' ' MET . 54.7 Cg_endo -68.5 24.97 0.14 Allowed 'Trans proline' 0 N--CA 1.473 0.284 0 C-N-CA 123.123 2.549 . . . . 0.0 112.625 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.541 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.4 p -109.13 -10.92 14.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 -48.11 6.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.62 -143.47 9.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.441 HD23 HG21 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.6 -5.45 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.786 0.293 . . . . 0.0 111.058 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -43.06 75.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 111.357 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.76 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.65 -37.16 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.13 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.618 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 33.6 t80 -64.72 -44.77 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.789 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -64.07 -42.24 97.04 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.6 m -61.4 -37.89 85.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.073 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.502 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -55.91 -40.07 72.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.797 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.467 HG13 ' HB3' ' B' ' 584' ' ' ALA . 16.1 pt -99.17 8.79 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.363 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 43.75 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.703 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' B' ' 626' ' ' TYR . . . -103.15 41.38 1.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.904 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.35 68.02 1.8 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.569 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -178.2 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.684 0.754 . . . . 0.0 109.221 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.08 -21.66 59.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.923 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.571 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.59 -25.87 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.842 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 590' ' ' LEU . 1.0 OUTLIER -60.16 -33.88 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.221 0.534 . . . . 0.0 110.16 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.504 ' N ' HG13 ' B' ' 589' ' ' VAL . 1.2 mm? -64.35 -38.93 92.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.268 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.571 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 80.0 m-85 -68.8 -44.08 74.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.296 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.94 -39.81 78.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.14 86.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.132 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.45 ' HB3' HG13 ' B' ' 596' ' ' ILE . 3.8 t30 -83.06 -13.67 55.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.3 43.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.028 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.45 HG13 ' HB3' ' B' ' 594' ' ' ASN . 8.7 mt -97.32 107.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -167.7 25.99 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.318 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.12 171.4 10.88 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.458 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.649 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.91 132.82 35.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.594 179.531 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.23 -32.62 2.52 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' B' ' 599' ' ' MET . 0.0 OUTLIER -60.0 -46.0 90.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.066 0.546 . . . . 0.0 110.855 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.73 91.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -39.66 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -41.13 98.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.433 ' HB3' HG22 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -66.47 -35.48 80.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.582 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 21.7 t80 -66.22 -38.59 88.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.28 -38.91 71.8 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.447 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -78.37 -39.83 38.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.083 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.47 -38.72 7.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 74.5 -49.55 0.67 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.024 0.53 . . . . 0.0 111.499 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.57 45.65 0.96 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.965 0.888 . . . . 0.0 108.897 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -57.16 -54.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.69 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.6 m-85 -57.54 -37.41 73.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 110.277 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -41.45 92.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -42.96 72.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.524 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.8 pt -70.33 -21.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . 0.402 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 108.43 30.27 3.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.941 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.582 HG21 ' N ' ' B' ' 619' ' ' ASP . 18.9 mm -66.13 146.61 13.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.582 ' N ' HG21 ' B' ' 618' ' ' ILE . 8.7 t0 -63.67 120.65 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.113 0.482 . . . . 0.0 110.058 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.4 OUTLIER -54.64 -37.29 65.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.029 -178.258 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -13.25 47.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 111.817 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 15.5 mtpt -125.15 -1.56 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.73 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 14.4 tp -54.64 -45.49 73.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.754 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -42.65 99.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.631 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.506 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 2.6 tttt -65.64 -36.74 84.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.641 ' OH ' ' HB2' ' B' ' 584' ' ' ALA . 2.8 m-30 -68.89 -45.91 69.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.4 -36.5 82.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.74 -49.89 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.371 0.605 . . . . 0.0 109.759 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.618 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -68.19 -41.97 80.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.619 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.99 -49.47 76.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.86 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.82 HD22 ' HZ ' ' B' ' 532' ' ' PHE . 3.2 mm? -63.9 -43.6 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.561 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 37.5 m -61.5 -40.88 96.2 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.082 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.33 -44.44 94.89 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.25 -39.58 87.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.899 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.451 HH21 ' CD ' ' A' ' 541' ' ' GLU . 0.0 OUTLIER -65.01 -44.23 89.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.196 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.3 -44.92 99.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.44 -40.9 96.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -63.41 -28.65 70.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.472 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.54 0.686 . . . . 0.0 109.79 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.42 -5.26 43.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.044 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.646 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 3.6 tp -69.21 134.31 89.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.465 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.04 -158.0 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.8 2.333 . . . . 0.0 111.105 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.869 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.11 147.8 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.522 ' HD1' ' HE1' ' A' ' 532' ' ' PHE . 0.1 OUTLIER -129.11 158.52 38.71 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.357 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.22 133.09 43.13 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.121 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.527 ' HB2' ' ND2' ' A' ' 610' ' ' ASN . 13.7 m-30 -90.48 129.23 36.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.409 0.623 . . . . 0.0 110.937 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -113.45 125.37 54.15 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.838 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' THR . . . . . 0.414 HG22 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.71 105.15 12.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.83 0.348 . . . . 0.0 110.255 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -104.86 147.62 27.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.18 126.86 36.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -114.38 137.7 51.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.195 -178.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.481 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -81.71 157.99 24.38 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -46.78 60.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.35 82.56 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -30.88 42.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.74 0.305 . . . . 0.0 111.339 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.498 ' HA ' HD11 ' A' ' 537' ' ' LEU . 77.9 t80 -55.91 -51.18 68.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.544 ' CG2' ' HG ' ' A' ' 642' ' ' LEU . 2.1 p -67.52 -34.5 77.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.179 0.514 . . . . 0.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -66.16 -44.78 83.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.542 HG11 HG13 ' B' ' 545' ' ' VAL . 59.2 t -71.21 -43.07 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.072 0.463 . . . . 0.0 111.68 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 638' ' ' GLU . 54.7 t -60.2 -50.54 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.175 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.7 OUTLIER -69.33 -34.07 74.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.555 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.545 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.8 t80 -59.7 -51.87 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 110.894 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -72.68 -26.3 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.0 73.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.5 mmt85 -65.86 -43.12 89.37 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -44.06 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.425 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -65.11 -21.29 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.967 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -79.8 -11.99 59.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 0.0 110.182 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.97 131.76 22.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.128 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 10.1 Cg_endo -54.71 128.82 31.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.539 2.159 . . . . 0.0 111.923 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -119.22 -13.45 9.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.946 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -130.72 160.71 33.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.957 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -45.23 8.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -40.65 60.63 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.157 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -104.19 105.96 51.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 0.0 110.394 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.84 110.61 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.64 2.226 . . . . 0.0 111.662 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -33.58 53.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.048 -178.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.719 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 8.0 tm0? -65.2 -45.9 82.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.9 p -61.47 -34.25 60.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.303 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.48 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.3 t -67.65 -39.99 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.901 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.44 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.08 -15.22 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.334 0.588 . . . . 0.0 109.689 178.795 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.74 -20.59 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.259 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.646 HG22 ' HB3' ' A' ' 577' ' ' ARG . 40.7 mt -74.55 141.04 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.547 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.5 OUTLIER -93.58 119.92 66.76 Favored Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 16.73 0.14 Allowed 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.932 2.421 . . . . 0.0 112.394 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 62.1 p -107.98 -0.63 21.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 2.5 mt-10 -100.15 -29.48 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.068 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 130.5 -159.73 22.91 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 1.23 28.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.236 0.541 . . . . 0.0 109.574 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -46.96 78.79 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.729 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.646 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.94 -37.46 78.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.728 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.704 ' HE1' ' HB2' ' A' ' 629' ' ' ALA . 74.5 t80 -58.79 -48.6 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -66.44 -32.47 73.87 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 54.1 m -64.35 -45.18 88.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.971 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.505 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -55.92 -39.6 71.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.566 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.552 HD11 ' HD1' ' A' ' 626' ' ' TYR . 0.5 OUTLIER -93.65 5.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.454 -178.487 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 60.17 38.39 20.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.609 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.409 ' HB1' ' OH ' ' A' ' 626' ' ' TYR . . . -83.39 -89.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.71 -51.51 4.28 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.076 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -35.06 67.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.498 0.666 . . . . 0.0 110.914 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.609 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 1.6 m-20 -62.01 -24.23 66.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.23 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.403 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -57.08 -24.52 54.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.918 0.389 . . . . 0.0 110.034 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 590' ' ' LEU . 0.7 OUTLIER -60.77 -34.44 59.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.967 178.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -70.02 -39.64 75.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.251 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.428 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 91.7 m-85 -67.21 -44.56 79.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.359 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.18 -38.77 80.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.108 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.59 95.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.09 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.468 ' HB3' HG13 ' A' ' 596' ' ' ILE . 7.6 t30 -80.43 -14.0 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.2 11.13 53.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.815 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' ' 594' ' ' ASN . 5.2 mt -91.3 81.06 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.66 7.43 7.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.95 0.405 . . . . 0.0 110.303 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.6 170.9 7.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -84.03 137.98 33.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.929 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.15 -27.61 4.46 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.007 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -37.81 82.7 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.32 -40.81 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.939 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.462 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mp -69.88 -42.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.036 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -59.51 -45.8 90.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.535 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.41 ' HB3' HG21 ' A' ' 612' ' ' ILE . 1.6 mm-40 -66.51 -32.84 74.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.066 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.449 ' CZ ' HD13 ' A' ' 631' ' ' LEU . 89.2 t80 -66.36 -37.06 84.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.36 0.6 . . . . 0.0 110.516 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.95 -45.13 95.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.462 0.648 . . . . 0.0 109.378 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -79.55 -37.44 36.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 61.2 m-70 -125.98 140.32 52.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.527 ' ND2' ' HB2' ' A' ' 532' ' ' PHE . 0.8 OUTLIER -104.55 -5.3 21.64 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.47 25.14 11.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.41 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.4 OUTLIER -51.09 -57.45 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -61.09 -41.97 97.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . 0.546 ' HG3' HD13 ' A' ' 623' ' ' LEU . 1.7 mt-10 -63.82 -38.86 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.243 0.544 . . . . 0.0 109.935 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -66.58 -42.81 86.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.584 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 37.2 pt -71.42 -22.41 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.14 25.92 4.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.457 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 626' ' ' TYR . 21.0 mm -66.87 137.57 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.82 135.74 54.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.907 0.384 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.592 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -63.46 -26.57 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.246 -179.051 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -14.26 62.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.172 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -124.92 -5.69 7.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 110.824 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.592 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.0 tp -54.07 -44.09 70.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.653 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -48.39 81.96 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -65.04 -37.78 88.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 0.0 110.725 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.609 ' HH ' ' CG ' ' A' ' 587' ' ' ASP . 19.9 m-85 -66.55 -49.42 66.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 5.7 m-85 -66.61 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.59 -50.76 70.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.346 0.593 . . . . 0.0 110.324 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . 0.704 ' HB2' ' HE1' ' A' ' 578' ' ' PHE . . . -67.21 -35.99 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.339 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.422 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.5 OUTLIER -62.39 -49.88 73.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.54 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.491 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 3.5 mm? -64.51 -44.73 89.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.896 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.8 m -59.57 -42.45 92.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.811 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.413 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -63.07 -40.92 99.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.029 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.92 -38.42 82.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.444 HH12 ' CD ' ' B' ' 541' ' ' GLU . 1.9 mmt85 -62.59 -45.72 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.598 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 567' ' ' SER . 5.3 mt -67.05 -47.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.499 0.666 . . . . 0.0 110.49 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -58.03 -39.05 77.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.451 -179.168 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.513 ' HB3' HG11 ' A' ' 546' ' ' VAL . 1.2 tp10 -72.54 -36.08 68.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.668 0.27 . . . . 0.0 110.552 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.549 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.14 -25.42 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.143 0.497 . . . . 0.0 111.6 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.84 -35.26 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.412 0.625 . . . . 0.0 110.136 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -5.59 39.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.83 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 1.8 tp -61.59 126.76 87.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.068 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.64 -170.52 0.53 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.808 2.338 . . . . 0.0 111.348 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 644' ' ' LYS . 6.9 mmtt . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.45 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.57 143.58 44.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 111.43 22.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 103.82 15.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.98 147.55 24.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.295 0.569 . . . . 0.0 111.584 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 4.7 mtp85 -103.45 125.78 50.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.725 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 113.85 21.83 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.332 0.587 . . . . 0.0 111.863 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 9.9 tp -107.17 134.72 49.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.422 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.414 HG21 HG22 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.49 121.83 33.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.343 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.47 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -120.26 131.78 55.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 -179.318 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.403 ' HB2' ' HG3' ' B' ' 541' ' ' GLU . 0.8 OUTLIER -78.32 155.26 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -32.98 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.4 -46.18 67.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . 0.444 ' CD ' HH12 ' A' ' 635' ' ' ARG . 0.0 OUTLIER -81.53 -27.67 34.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.047 0.451 . . . . 0.0 111.718 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.47 ' HA ' HD11 ' B' ' 537' ' ' LEU . 87.5 t80 -52.69 -47.82 66.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.778 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.602 HG21 ' HG ' ' B' ' 642' ' ' LEU . 2.0 p -61.2 -37.42 82.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.986 0.422 . . . . 0.0 111.424 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . 0.534 ' HE2' ' HZ ' ' A' ' 548' ' ' PHE . 7.7 tttt -64.97 -43.0 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.141 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.542 HG13 HG11 ' A' ' 545' ' ' VAL . 98.0 t -70.43 -43.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.392 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.513 ' HB ' HD21 ' B' ' 642' ' ' LEU . 50.1 t -59.93 -50.18 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.61 -37.35 87.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.14 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.471 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.6 t80 -59.39 -50.03 75.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.449 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.683 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.76 -30.6 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.34 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.39 -35.16 76.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.0 mmt85 -68.65 -39.05 80.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.3 -40.59 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.283 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.75 -21.55 61.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -14.95 60.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' B' ' 556' ' ' PRO . 47.3 t -115.04 132.25 23.11 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.45 ' HD2' HG13 ' B' ' 555' ' ' VAL . 23.4 Cg_endo -61.54 128.45 24.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.131 1.887 . . . . 0.0 112.628 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -117.69 -19.34 9.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.733 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . 0.575 ' HB2' HG13 ' B' ' 561' ' ' VAL . 48.5 m-85 -121.12 152.41 38.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.496 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -38.71 10.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -72.98 -34.8 66.67 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.575 HG13 ' HB2' ' B' ' 558' ' ' TYR . 5.4 p -114.28 102.09 54.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.765 ' HB2' HG12 ' B' ' 565' ' ' VAL . 24.1 Cg_exo -63.07 94.98 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.295 2.663 . . . . 0.0 112.532 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -24.9 61.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.426 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.21 -50.74 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.761 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.765 HG12 ' HB2' ' B' ' 562' ' ' PRO . 14.6 p -63.93 -29.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.271 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.495 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -69.01 -39.64 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.218 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.469 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.61 -14.12 60.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 179.226 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . 0.423 ' HD2' HG22 ' B' ' 565' ' ' VAL . 0.1 OUTLIER -82.53 -11.43 58.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.709 HG21 ' HB3' ' B' ' 577' ' ' ARG . 6.4 mt -87.54 141.33 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.781 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.5 OUTLIER -87.22 117.79 69.07 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.5 ' HD2' HD13 ' B' ' 570' ' ' LEU . 49.7 Cg_endo -69.59 25.05 0.17 Allowed 'Trans proline' 0 C--N 1.335 -0.158 0 C-N-CA 122.823 2.349 . . . . 0.0 112.279 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.55 ' H ' ' C ' ' B' ' 570' ' ' LEU . 73.1 p -108.65 -3.86 17.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.094 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' B' ' 570' ' ' LEU . 0.0 OUTLIER -98.99 -79.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -168.42 -134.95 1.8 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.459 ' O ' HD22 ' B' ' 579' ' ' LEU . 0.1 OUTLIER -128.51 -4.3 5.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.623 0.249 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -45.16 81.18 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.206 0.527 . . . . 0.0 111.186 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.709 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.4 -36.39 84.01 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.538 ' HE1' ' HB1' ' B' ' 629' ' ' ALA . 37.6 t80 -63.22 -44.48 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.216 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.459 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.2 OUTLIER -63.8 -40.23 96.15 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.1 m -66.83 -37.19 84.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' B' ' 565' ' ' VAL . . . -57.53 -36.75 71.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.943 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.501 HD11 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -98.45 4.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.623 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.54 43.78 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.387 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.713 ' HB3' ' OD2' ' B' ' 587' ' ' ASP . . . -99.71 -105.29 0.22 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 103.75 -46.51 1.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 115.373 0.909 . . . . 0.0 115.373 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -67.35 -20.1 65.53 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.014 0.911 . . . . 0.0 110.651 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.713 ' OD2' ' HB3' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -74.48 -26.29 59.92 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.815 -178.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 6.9 m -56.62 -25.97 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.635 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.6 OUTLIER -65.84 -34.02 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.001 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.635 ' N ' HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -70.14 -43.2 71.43 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.49 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.43 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.9 m-85 -66.64 -42.1 87.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.195 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.73 -40.39 87.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.14 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.91 96.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.147 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.488 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.4 t30 -81.29 -11.6 59.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.027 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.29 17.97 51.15 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.335 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.488 HG13 ' HB3' ' B' ' 594' ' ' ASN . 8.6 mt -95.06 99.58 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.44 10.84 0.87 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.95 172.0 10.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.29 144.75 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.107 0.48 . . . . 0.0 110.66 -179.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.74 -33.2 4.49 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.424 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.99 -49.21 78.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 111.32 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -38.4 89.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.575 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.5 mp -68.37 -41.2 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.131 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -64.06 -41.49 97.34 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.181 0.515 . . . . 0.0 109.694 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.519 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -66.52 -34.09 77.14 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.204 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -66.77 -37.74 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.3 0.571 . . . . 0.0 110.653 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 45.4 mt-10 -68.29 -38.56 81.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.497 0.665 . . . . 0.0 109.659 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.467 ' HZ2' ' CD ' ' B' ' 605' ' ' GLU . 3.6 mtmt -76.46 -41.17 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.386 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -138.07 147.35 43.96 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.087 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -102.37 -3.02 27.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.59 0.709 . . . . 0.0 109.327 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.601 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 19.5 p-10 -115.3 33.96 5.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.71 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.519 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.8 OUTLIER -53.33 -54.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.846 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.1 m-85 -59.36 -39.54 83.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.757 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.13 -32.91 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.37 0.605 . . . . 0.0 109.605 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -36.79 76.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.497 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.4 pt -81.06 -20.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.88 27.8 4.45 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.772 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' B' ' 591' ' ' PHE . 17.1 mm -68.42 142.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.903 0.351 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.2 132.94 48.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.1 OUTLIER -65.29 -24.07 67.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.227 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.1 m -69.86 -14.76 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.331 . . . . 0.0 111.686 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' B' ' 626' ' ' TYR . 2.7 mtpt -123.72 -4.03 8.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.524 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 4.8 tp -54.06 -44.8 71.4 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.34 85.83 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.047 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -62.16 -37.13 84.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.16 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.559 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 24.2 m-85 -68.85 -50.61 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.552 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.601 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 10.2 m-85 -63.61 -33.3 75.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.075 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.38 -51.5 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.505 0.669 . . . . 0.0 109.325 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.538 ' HB1' ' HE1' ' B' ' 578' ' ' PHE . . . -69.13 -43.0 75.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.187 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.72 -49.31 73.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.456 0.702 . . . . 0.0 112.693 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.481 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.9 mm? -64.83 -44.46 89.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.828 0.347 . . . . 0.0 110.64 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 14.6 m -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.367 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' B' ' 571' ' ' PRO . 29.2 t80 -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.85 -40.78 89.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.683 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -61.31 -45.05 96.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.477 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' B' ' 567' ' ' SER . 22.5 mt -64.1 -44.85 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -59.44 -47.57 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.504 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 5.2 tp10 -63.35 -36.69 84.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.745 0.307 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.7 -24.95 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.335 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.83 67.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . 0.504 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.26 -6.02 42.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.611 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.602 ' HG ' HG21 ' B' ' 543' ' ' THR . 1.4 mp -72.65 131.07 84.73 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.412 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.43 ' HD2' HG21 ' B' ' 543' ' ' THR . 94.0 Cg_endo -94.11 -140.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.291 2.661 . . . . 0.0 110.935 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.41 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.826 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.286 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.65 136.48 39.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.481 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 1.7 t80 -70.77 112.83 7.28 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.604 0.716 . . . . 0.0 112.073 -177.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.52 145.55 31.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.13 147.83 36.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.01 127.37 43.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.19 119.27 20.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.0 110.057 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 4.0 tp -112.16 139.87 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.31 122.54 34.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.647 HD13 HG21 ' A' ' 545' ' ' VAL . 0.8 OUTLIER -114.72 141.47 47.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.725 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -73.44 157.42 36.9 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.502 HG22 ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -57.53 -48.15 80.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.61 -44.5 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.39 -30.0 64.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.972 0.415 . . . . 0.0 111.679 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 538' ' ' SER . 93.6 t80 -55.33 -50.42 69.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.892 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 1.018 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.82 -34.67 78.44 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.069 0.461 . . . . 0.0 111.147 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -66.01 -44.97 83.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.28 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.647 HG21 HD13 ' A' ' 537' ' ' LEU . 57.7 t -71.21 -42.33 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.095 0.474 . . . . 0.0 111.912 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.5 ' HB ' HD23 ' A' ' 642' ' ' LEU . 56.0 t -60.26 -49.89 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.964 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -67.63 -34.79 77.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.992 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 549' ' ' LEU . 0.8 OUTLIER -59.29 -48.7 80.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.945 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.502 HD21 ' CE2' ' A' ' 548' ' ' PHE . 24.5 mt -71.3 -30.47 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 0.0 111.279 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.55 77.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.219 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.3 mmt85 -68.82 -38.43 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.22 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.86 -40.52 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.231 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.2 58.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.032 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.93 -36.7 35.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 27.9 m -100.5 157.01 34.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.55 ' HB3' ' HG2' ' A' ' 564' ' ' GLN . 35.9 Cg_endo -68.62 127.77 16.04 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.827 1.684 . . . . 0.0 108.169 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 557' ' ' ARG . 9.7 ttm-85 -166.62 -26.65 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.839 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -97.89 142.09 30.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.099 0.476 . . . . 0.0 110.736 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -66.99 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.34 -26.18 62.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -113.41 110.62 50.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.262 0.553 . . . . 0.0 110.641 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.471 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 5.2 Cg_exo -75.37 75.03 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.481 2.787 . . . . 0.0 111.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -36.57 84.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.059 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.55 ' HG2' ' HB3' ' A' ' 556' ' ' PRO . 0.0 OUTLIER -55.24 -39.56 69.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 581' ' ' ALA . 9.5 p -85.48 -29.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.491 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.529 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.52 -39.62 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.036 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.45 ' HB3' HD11 ' A' ' 636' ' ' ILE . 0.9 OUTLIER -71.35 -16.11 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.539 . . . . 0.0 110.469 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -21.81 39.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.204 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.529 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -83.84 146.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.322 0.582 . . . . 0.0 111.295 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' ' 573' ' ' GLU . 1.1 mm? -102.6 131.96 21.82 Favored Pre-proline 0 C--N 1.314 -0.977 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.612 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 13.5 Cg_endo -60.94 -8.26 9.37 Favored 'Trans proline' 0 C--N 1.335 -0.156 0 C-N-CA 122.17 1.913 . . . . 0.0 111.512 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.779 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 54.5 p -80.29 -14.16 58.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.12 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.3 OUTLIER -99.93 12.01 37.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.203 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 88.99 -157.64 27.37 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.495 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -116.94 -3.02 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 0.0 110.437 -179.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -44.76 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.599 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.477 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.67 -41.58 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.736 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -36.15 81.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.648 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 84.4 m -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.858 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.76 -44.06 81.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.362 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.493 HG13 ' HB1' ' A' ' 584' ' ' ALA . 5.5 pt -90.72 7.86 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptt 60.76 35.44 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.843 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' A' ' 582' ' ' ILE . . . -100.15 47.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.76 68.93 1.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.475 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 176.2 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.919 0.866 . . . . 0.0 109.047 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.534 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 1.1 m-20 -71.26 -21.85 62.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.97 -25.43 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.41 -33.89 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.556 ' N ' HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.54 -38.89 88.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.681 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.504 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 60.7 m-85 -68.26 -43.83 76.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.263 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.25 -41.11 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.53 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.452 ' HB2' HG21 ' A' ' 616' ' ' ILE . 3.5 t30 -82.77 -15.09 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.998 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.43 11.79 55.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.457 HG21 HD22 ' A' ' 575' ' ' LEU . 3.9 mt -90.1 109.37 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.747 0.308 . . . . 0.0 111.439 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -168.81 21.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.681 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 172.88 10.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.779 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -80.04 134.34 36.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.776 -179.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.87 -40.38 2.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -58.24 -44.44 88.28 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.998 0.519 . . . . 0.0 111.317 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.3 ttt -62.82 -47.07 85.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 0.9 OUTLIER -67.59 -41.18 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -35.16 77.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.545 ' HG3' HG21 ' A' ' 612' ' ' ILE . 7.2 tp10 -64.92 -35.66 81.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.627 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.507 ' HA ' HD13 ' A' ' 612' ' ' ILE . 81.2 t80 -69.01 -38.45 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 109.655 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 79.4 mt-10 -69.18 -46.87 66.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.81 49.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HD2' ' OE2' ' A' ' 605' ' ' GLU . 6.3 m-70 -111.13 -42.79 3.86 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 75.52 -47.34 0.59 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.992 0.517 . . . . 0.0 111.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -103.51 41.34 1.28 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 109.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.545 HG21 ' HG3' ' A' ' 605' ' ' GLU . 0.5 OUTLIER -54.39 -59.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.549 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.8 m-85 -56.74 -43.0 80.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.374 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -39.75 93.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.135 0.493 . . . . 0.0 110.984 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -70.52 -43.04 70.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.525 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.452 HG21 ' HB2' ' A' ' 594' ' ' ASN . 40.9 pt -68.67 -24.3 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.41 24.51 4.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 119.759 -1.21 . . . . 0.0 113.745 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 619' ' ' ASP . 13.2 mm -67.21 145.98 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.515 ' N ' HG23 ' A' ' 618' ' ' ILE . 15.4 t70 -65.92 128.31 35.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.79 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -71.12 -25.59 62.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.136 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -16.8 64.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.055 0.455 . . . . 0.0 111.545 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 626' ' ' TYR . 17.2 mtmt -126.81 8.85 6.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.79 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.7 tp -53.39 -41.62 66.1 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.517 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -44.35 97.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HE2' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -67.01 -38.45 85.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.504 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.573 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 39.4 m-85 -60.22 -52.86 63.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.25 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.25 -31.21 71.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.582 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.466 ' CD ' ' HH ' ' A' ' 530' ' ' TYR . 5.4 tp10 -64.0 -51.86 62.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.701 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.31 77.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.066 0.46 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -45.27 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.261 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.51 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -66.67 -40.84 88.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.619 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -43.26 88.07 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.144 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.612 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 1.8 t80 -60.64 -45.67 93.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.851 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -39.0 89.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.565 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.466 ' HD3' ' HA ' ' A' ' 635' ' ' ARG . 0.6 OUTLIER -66.24 -45.55 80.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.836 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 567' ' ' SER . 20.8 mt -64.13 -43.58 97.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.1 -46.32 85.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -35.92 81.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.9 -24.34 67.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.337 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 11.3 mtp -68.23 -33.05 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -93.44 -6.43 47.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.464 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 1.018 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -69.41 130.02 91.18 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.226 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -88.61 -168.59 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 111.11 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.761 -0.638 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -110.88 -71.32 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.725 ' CE1' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER -121.52 99.62 6.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.458 0.646 . . . . 0.0 112.515 -178.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 539' ' ' THR . 61.5 m -114.75 122.77 47.42 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.21 128.39 35.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.295 0.569 . . . . 0.0 111.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 126.19 53.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.007 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 102.87 14.41 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.29 0.567 . . . . 0.0 110.716 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 14.0 tp -89.84 149.74 22.53 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.607 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.06 121.87 33.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.764 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.412 HD11 HG22 ' B' ' 545' ' ' VAL . 1.8 mm? -112.69 129.88 56.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.611 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.51 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.1 OUTLIER -82.77 158.95 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -48.39 65.2 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.33 65.86 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.23 -29.52 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.15 0.5 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' B' ' 538' ' ' SER . 58.7 t80 -55.6 -51.75 66.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.618 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.687 HG21 ' HG ' ' B' ' 642' ' ' LEU . 1.1 p -67.26 -33.69 75.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.467 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -45.5 79.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.767 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.412 HG22 HD11 ' B' ' 537' ' ' LEU . 54.2 t -71.02 -42.99 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.434 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.833 HG12 ' HB3' ' B' ' 638' ' ' GLU . 43.5 t -59.11 -50.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.33 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.7 mm-40 -69.45 -33.82 73.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.253 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.468 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -59.51 -48.04 83.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.2 mt -72.1 -34.37 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.923 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' B' ' 547' ' ' GLU . . . -61.79 -32.88 73.19 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.669 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.5 mmt180 -60.39 -48.53 81.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -33.06 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.09 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.92 -17.94 58.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.186 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -98.4 -44.79 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.943 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . 0.427 HG13 ' HD2' ' B' ' 556' ' ' PRO . 3.1 t -96.94 127.74 37.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.672 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.608 ' HB3' ' HG2' ' B' ' 564' ' ' GLN . 11.1 Cg_endo -54.95 129.21 34.07 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.93 2.42 . . . . 0.0 111.957 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -149.6 -34.35 0.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.131 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.85 130.36 42.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.976 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -44.19 62.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.187 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.409 ' CH2' ' HG2' ' B' ' 628' ' ' GLU . 19.4 p-90 -74.03 -36.28 64.4 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 6.2 p -113.64 110.83 49.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.184 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 3.8 Cg_exo -80.36 85.28 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.392 2.728 . . . . 0.0 111.394 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' B' ' 553' ' ' ALA . 0.9 OUTLIER -72.21 -26.2 61.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.926 -179.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.608 ' HG2' ' HB3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -55.64 -47.16 77.1 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' B' ' 581' ' ' ALA . 14.1 p -71.04 -27.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.029 0.442 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.536 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -70.41 -36.97 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.505 ' HB3' HD11 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -74.3 -15.12 60.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.296 0.569 . . . . 0.0 110.154 179.397 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -16.69 50.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.649 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.665 HG23 ' HB3' ' B' ' 577' ' ' ARG . 15.1 mt -79.93 139.46 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.696 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.589 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.4 OUTLIER -89.63 118.09 68.71 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' B' ' 599' ' ' MET . 39.6 Cg_endo -67.56 20.63 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.24 0 C-N-CA 123.087 2.525 . . . . 0.0 112.108 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.697 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 53.2 p -108.16 -13.11 14.99 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.315 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -50.72 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.622 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.53 -146.45 14.25 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.238 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.43 HD21 HG23 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -116.04 -3.77 12.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.489 0.185 . . . . 0.0 111.051 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -44.4 87.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 111.466 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.665 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.33 81.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.998 0.427 . . . . 0.0 110.098 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.472 ' CE1' ' HB1' ' B' ' 629' ' ' ALA . 38.0 t80 -61.65 -47.3 86.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.77 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.479 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.1 OUTLIER -63.39 -42.29 98.79 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -61.84 -37.41 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.544 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -57.34 -36.86 71.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.078 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.513 HG13 ' HB2' ' B' ' 584' ' ' ALA . 0.5 OUTLIER -102.39 9.44 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.021 -179.181 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.8 mttt 61.24 41.65 13.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.406 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.553 ' HB1' ' OH ' ' B' ' 626' ' ' TYR . . . -96.15 46.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.205 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.43 62.66 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.179 -0.534 . . . . 0.0 112.326 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -176.0 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.512 0.673 . . . . 0.0 109.667 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -21.9 62.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.577 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.28 -25.63 59.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.458 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.536 HG12 HD21 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -61.37 -33.88 58.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.536 HD21 HG12 ' B' ' 589' ' ' VAL . 1.1 mm? -66.15 -38.49 88.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.628 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 81.9 m-85 -67.34 -44.34 79.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -61.02 -37.7 83.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.82 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.08 96.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.057 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.69 -13.81 58.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.059 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.08 14.61 41.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.256 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.43 HG23 HD21 ' B' ' 575' ' ' LEU . 5.8 mt -95.53 92.68 3.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.5 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 11.1 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 173.6 10.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.119 0.485 . . . . 0.0 111.945 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.697 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 5.7 ptm -80.28 149.84 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.078 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.76 -34.17 2.33 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -47.84 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.581 0.352 . . . . 0.0 111.725 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.81 96.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -40.82 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.092 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -62.76 -45.34 93.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.617 ' HB3' HG21 ' B' ' 612' ' ' ILE . 18.0 mm-40 -65.26 -34.64 78.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.361 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.489 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 68.8 t80 -64.91 -38.72 91.9 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.595 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -74.56 -46.2 40.42 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -21.19 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.7 m-70 -122.32 -50.39 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.769 -0.582 . . . . 0.0 112.569 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.31 -33.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.507 0.723 . . . . 0.0 111.639 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.405 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 6.7 t0 -102.78 39.73 1.49 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.467 0.651 . . . . 0.0 109.655 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.617 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -62.74 -58.51 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.204 -178.171 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.8 m-85 -57.29 -40.81 78.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' B' ' 623' ' ' LEU . 1.1 mm-40 -66.43 -36.96 84.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.17 0.509 . . . . 0.0 110.235 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -42.76 73.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.965 -178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 36.9 pt -70.88 -22.89 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.37 30.37 3.37 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.032 -1.08 . . . . 0.0 113.245 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.413 HG23 ' CD2' ' B' ' 626' ' ' TYR . 13.1 mm -66.64 145.56 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.95 129.05 38.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -38.61 84.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.9 m -70.5 -8.84 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.669 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.423 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.8 mtpt -122.79 -5.48 8.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.8 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.408 HD11 ' HG2' ' B' ' 614' ' ' GLU . 2.3 tp -55.31 -45.07 76.3 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.754 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' B' ' 628' ' ' GLU . 0.0 OUTLIER -60.03 -48.0 83.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.258 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.08 93.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.415 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.553 ' OH ' ' HB1' ' B' ' 584' ' ' ALA . 12.7 m-85 -65.98 -51.57 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 9.2 m-85 -64.86 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.301 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -60.14 -50.04 75.27 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' B' ' 578' ' ' PHE . . . -67.34 -35.89 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.99 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.42 -49.43 77.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.388 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.83 -43.51 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.519 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 56.8 m -60.39 -46.46 89.9 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.967 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' B' ' 571' ' ' PRO . 12.0 t80 -60.47 -44.63 95.69 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.338 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -65.88 -44.83 84.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' B' ' 567' ' ' SER . 30.2 mt -59.42 -46.47 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 109.859 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -39.62 82.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.291 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.833 ' HB3' HG12 ' B' ' 546' ' ' VAL . 1.7 mt-10 -68.64 -41.01 79.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.623 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.773 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.38 -24.93 67.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.8 mtt -66.81 -33.62 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 109.56 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -5.69 45.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.803 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.773 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.0 OUTLIER -79.29 133.64 60.1 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.905 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 11.7 Cg_exo -70.81 -63.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.374 2.049 . . . . 0.0 110.081 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' B' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.237 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -143.24 -48.5 0.31 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.495 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.434 ' HE1' ' HB1' ' B' ' 540' ' ' ALA . 0.4 OUTLIER -157.19 132.33 8.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 111.522 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.51 147.91 45.57 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.845 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.737 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 1.6 m-85 -93.26 140.86 29.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 0.0 111.195 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -121.81 126.33 48.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.78 116.84 27.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -111.55 149.96 30.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.683 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.92 121.89 33.14 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -109.85 141.85 41.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.71 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -74.02 157.91 35.28 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.928 178.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.51 71.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.69 -40.76 76.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.442 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.16 -26.38 61.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 538' ' ' SER . 75.7 t80 -52.53 -49.82 64.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.377 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.624 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.7 p -66.27 -33.96 76.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.731 0.301 . . . . 0.0 111.299 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.99 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.62 -43.19 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.0 111.645 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.634 HG13 ' HB3' ' A' ' 638' ' ' GLU . 56.0 t -60.29 -50.5 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.914 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.682 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.79 -34.16 77.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.173 -178.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.49 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.2 t80 -59.09 -50.61 73.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.984 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.4 mt -71.57 -28.31 63.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.1 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.83 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 20.7 mmt85 -64.1 -47.32 80.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.13 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -67.93 -31.61 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.665 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.545 ' HA ' HG21 ' A' ' 563' ' ' THR . . . -71.62 -33.74 69.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.419 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -82.73 -50.32 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 5.4 t -101.98 110.58 62.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.685 ' HG3' ' HB2' ' A' ' 564' ' ' GLN . 99.4 Cg_exo -34.02 126.43 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.121 3.214 . . . . 0.0 114.345 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' A' ' 552' ' ' GLU . 4.2 ttt180 -169.22 28.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.752 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -106.75 162.11 14.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.2 p -45.88 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.072 0.858 . . . . 0.0 113.149 -178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -144.3 51.89 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 0.0 110.543 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.462 HG21 ' HB1' ' A' ' 629' ' ' ALA . 2.0 p -143.66 124.17 7.84 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.429 ' HB2' HG12 ' A' ' 565' ' ' VAL . 19.0 Cg_endo -60.73 94.76 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.139 2.559 . . . . 0.0 111.937 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.545 HG21 ' HA ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -83.42 -32.12 26.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.352 -178.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.685 ' HB2' ' HG3' ' A' ' 556' ' ' PRO . 1.5 tm0? -56.41 -45.09 80.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.199 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.9 p -73.59 -31.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.557 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.515 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.18 -39.92 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.366 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.14 -18.88 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.393 0.616 . . . . 0.0 109.897 179.076 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -86.09 -14.23 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.226 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 565' ' ' VAL . 68.8 mt -73.76 136.13 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.561 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -84.87 115.88 62.85 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.261 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.597 ' O ' ' HB2' ' A' ' 599' ' ' MET . 40.1 Cg_endo -67.76 22.36 0.12 Allowed 'Trans proline' 0 C--N 1.334 -0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' A' ' 570' ' ' LEU . 60.1 p -109.93 -16.79 13.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.371 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.496 ' OE2' ' HB2' ' A' ' 577' ' ' ARG . 0.3 OUTLIER -85.46 -43.31 13.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.67 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 145.32 -133.94 5.3 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.482 HD23 HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -123.47 4.04 9.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.828 0.347 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -46.01 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.079 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.508 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.45 -37.23 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.661 0.267 . . . . 0.0 110.816 179.211 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.26 77.81 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.128 0.49 . . . . 0.0 110.126 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 85.8 m -70.49 -43.39 69.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.619 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.501 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -55.03 -45.22 75.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.121 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.498 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -86.93 1.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.938 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 40.39 30.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.668 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.495 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -58.98 -69.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.157 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 126.39 -127.41 6.04 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.635 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 26.58 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.579 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 1.8 m-20 -70.56 -24.04 62.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 110.09 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.45 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -57.71 -25.29 60.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -34.15 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -38.92 81.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.45 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 93.7 m-85 -67.33 -39.47 85.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.288 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.8 t-20 -62.35 -41.87 98.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.046 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.3 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.338 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.469 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.6 t30 -81.88 -11.44 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.382 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 87.31 23.75 39.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.293 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.482 HG22 HD23 ' A' ' 575' ' ' LEU . 17.7 mt -83.73 -102.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . 0.426 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 37.5 p90 49.26 0.56 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.1 OUTLIER -116.38 171.67 7.69 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.719 -0.613 . . . . 0.0 111.813 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.597 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -80.46 149.64 30.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.681 179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.35 -41.0 2.01 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.479 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.408 ' CG ' HH21 ' A' ' 604' ' ' ARG . 2.5 t70 -57.28 -43.96 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.5 ttp -61.49 -46.67 89.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.99 -40.23 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . 0.45 ' NH2' ' HG2' ' A' ' 605' ' ' GLU . 6.4 ttp85 -60.76 -47.14 87.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.217 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.45 ' HG2' ' NH2' ' A' ' 604' ' ' ARG . 9.2 mm-40 -62.01 -36.46 81.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.491 ' HA ' HD13 ' A' ' 612' ' ' ILE . 59.7 t80 -62.47 -45.08 94.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.641 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.45 -36.84 81.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -76.22 -25.24 54.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.152 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.2 -128.91 0.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 176.46 -35.46 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -106.26 41.26 1.45 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.838 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 606' ' ' PHE . 1.1 mp -52.65 -56.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.46 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.6 m-85 -59.17 -39.62 83.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.26 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -38.29 88.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.227 0.537 . . . . 0.0 110.508 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -42.16 76.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.08 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.404 HG12 ' HA ' ' A' ' 613' ' ' PHE . 38.0 pt -70.76 -22.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.66 28.72 3.61 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.113 -1.042 . . . . 0.0 113.32 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.545 HG23 HD12 ' A' ' 623' ' ' LEU . 17.8 mm -71.83 141.66 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.526 ' N ' HG21 ' A' ' 618' ' ' ILE . 8.2 t0 -65.6 134.55 53.53 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.739 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.744 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -68.07 -28.25 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -17.15 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.132 0.491 . . . . 0.0 111.035 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.468 ' HE2' ' HB3' ' A' ' 619' ' ' ASP . 35.0 mtmt -117.62 -3.94 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.756 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.744 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.3 tp -54.75 -44.44 73.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.793 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -48.23 82.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -61.15 -38.12 85.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.579 ' HH ' ' CG ' ' A' ' 587' ' ' ASP . 23.7 m-85 -69.43 -51.09 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.737 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 8.4 m-85 -65.66 -31.9 73.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.695 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -49.97 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 561' ' ' VAL . . . -66.67 -34.42 77.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.699 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -43.69 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.546 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.579 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -61.74 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.223 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 553' ' ' ALA . 0.2 OUTLIER -62.88 -46.87 85.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.757 -179.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.99 89.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.618 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -62.09 -39.77 93.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.091 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -66.13 -40.36 90.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.452 ' O ' ' HG3' ' A' ' 640' ' ' MET . 44.8 mt -61.45 -48.73 87.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.01 -42.81 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.844 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.634 ' HB3' HG13 ' A' ' 546' ' ' VAL . 0.8 OUTLIER -62.51 -42.93 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.098 178.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.509 ' HA ' HD21 ' A' ' 642' ' ' LEU . . . -66.2 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.057 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 22.5 mtt -69.29 -31.35 69.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.459 0.647 . . . . 0.0 109.333 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -92.81 -6.35 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.703 -179.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.624 ' HG ' HG22 ' A' ' 543' ' ' THR . 0.6 OUTLIER -61.64 142.92 94.18 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.436 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 57.5 4.83 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.969 2.446 . . . . 0.0 112.723 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.308 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -85.24 -12.86 51.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.406 0.146 . . . . 0.0 111.189 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.692 ' CD1' ' HA ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -146.2 112.77 5.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 124.14 46.96 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -87.67 129.22 35.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.208 0.527 . . . . 0.0 111.7 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -125.55 134.36 52.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.832 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 119.18 24.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.147 0.499 . . . . 0.0 110.711 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . 0.415 HD22 ' HG ' ' A' ' 537' ' ' LEU . 10.6 tp -100.67 138.21 38.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.753 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.34 120.99 33.4 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -122.49 142.36 50.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.963 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.579 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -80.99 156.99 25.66 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -46.92 86.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . 0.434 ' HB1' ' HE1' ' A' ' 530' ' ' TYR . . . -70.34 -44.33 68.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -70.78 -28.06 64.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.179 0.514 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' B' ' 538' ' ' SER . 85.5 t80 -54.24 -50.16 67.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.196 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.4 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 40.7 p -61.44 -35.24 77.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -66.05 -44.89 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.84 -41.55 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' B' ' 638' ' ' GLU . 41.3 t -60.18 -50.77 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.792 ' HG3' ' HE3' ' B' ' 644' ' ' LYS . 0.0 OUTLIER -67.35 -31.36 71.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.974 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -58.37 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.651 ' HA ' ' HG3' ' B' ' 552' ' ' GLU . 17.4 mt -72.59 -29.48 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.319 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.16 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 15.5 mmt85 -65.58 -40.74 93.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.037 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.651 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.1 OUTLIER -68.02 -32.24 72.47 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.456 0.646 . . . . 0.0 109.605 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.831 ' HA ' HG22 ' B' ' 563' ' ' THR . . . -75.84 -35.11 60.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.901 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -73.32 -57.08 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 15.6 t -104.79 118.42 56.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.782 ' HD3' ' HB2' ' B' ' 564' ' ' GLN . 2.2 Cg_endo -43.98 126.61 6.2 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.679 2.919 . . . . 0.0 113.986 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 24.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.455 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . 0.576 ' HE1' ' HB2' ' B' ' 552' ' ' GLU . 5.7 m-85 -106.71 160.29 15.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.649 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' THR . . . . . 0.525 ' HB ' ' H ' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -75.32 -109.07 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.525 ' H ' ' HB ' ' B' ' 559' ' ' THR . 0.7 OUTLIER -83.84 46.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.64 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.559 HG12 ' HB3' ' B' ' 558' ' ' TYR . 2.2 p -158.21 125.15 2.59 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.865 0.364 . . . . 0.0 110.997 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.492 ' HG2' ' O ' ' B' ' 581' ' ' ALA . 27.1 Cg_exo -63.95 147.81 91.83 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.02 2.48 . . . . 0.0 111.551 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' THR . . . . . 0.831 HG22 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -135.02 -43.3 0.73 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.777 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.782 ' HB2' ' HD3' ' B' ' 556' ' ' PRO . 19.7 tt0 -58.61 -43.49 89.6 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.508 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.4 p -66.92 -29.84 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.051 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.514 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.83 -40.23 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.97 -16.64 62.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.527 0.679 . . . . 0.0 109.926 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.91 -17.14 41.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.308 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.514 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 11.2 mt -79.79 137.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.4 OUTLIER -83.54 121.32 76.44 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.36 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' B' ' 599' ' ' MET . 23.1 Cg_endo -65.11 9.83 0.16 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.496 2.13 . . . . 0.0 112.161 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.692 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 28.5 p -108.35 -6.07 16.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.02 -62.43 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.289 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 165.15 -155.42 26.79 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' B' ' 602' ' ' MET . 0.1 OUTLIER -116.73 -6.94 11.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.911 0.356 . . . . 0.0 110.556 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -40.55 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.42 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.26 -37.18 86.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.276 0.56 . . . . 0.0 109.584 178.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' B' ' 575' ' ' LEU . 61.9 t80 -63.5 -45.27 91.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.666 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.419 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.2 OUTLIER -64.37 -42.43 96.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.868 178.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 44.7 m -61.41 -39.18 89.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.034 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -58.72 -45.69 89.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.633 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.5 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.5 pt -86.77 6.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.829 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.34 37.54 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.5 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -66.25 -67.6 0.43 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.48 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 94.27 -98.43 2.32 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.817 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . 0.403 ' O ' HG11 ' B' ' 589' ' ' VAL . 1.8 p80 -82.85 4.59 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.8 -24.77 62.63 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.228 -0.295 . . . . 0.0 111.461 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.413 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.53 -26.56 65.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 0.0 110.774 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.456 HG12 ' N ' ' B' ' 590' ' ' LEU . 0.9 OUTLIER -60.98 -33.66 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.363 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.456 ' N ' HG12 ' B' ' 589' ' ' VAL . 1.0 OUTLIER -66.71 -37.95 85.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.252 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 87.7 m-85 -68.24 -42.32 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.017 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -58.81 -43.56 90.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.923 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.29 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.695 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.465 ' HB2' HG22 ' B' ' 616' ' ' ILE . 52.1 t30 -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.12 15.84 46.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.502 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.476 HG21 HD21 ' B' ' 575' ' ' LEU . 9.8 mt -83.15 -101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . 0.403 ' H ' ' HB ' ' B' ' 596' ' ' ILE . 17.8 p90 51.79 -3.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' THR . . . . . 0.448 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.21 171.24 7.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.24 0.543 . . . . 0.0 111.878 -179.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.692 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -80.86 145.39 31.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.488 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.3 -37.63 2.41 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.454 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.481 ' HB3' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.88 -40.86 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.221 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.43 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.4 mt -68.42 -42.91 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.537 ' NH2' ' HG2' ' B' ' 605' ' ' GLU . 4.5 ttp85 -61.53 -40.25 93.98 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.956 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.676 ' HB3' HG21 ' B' ' 612' ' ' ILE . 7.1 mm-40 -63.46 -38.55 91.56 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.146 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.485 ' HA ' HD12 ' B' ' 612' ' ' ILE . 79.3 t80 -67.26 -37.49 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.101 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.8 -43.73 78.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -77.04 -41.34 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.547 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 5.4 m-70 -105.87 -132.98 0.32 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.974 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . 0.547 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 0.4 OUTLIER 168.0 -33.84 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -98.49 27.27 4.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.338 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.676 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -51.17 -61.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.407 -178.714 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.07 -39.64 79.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.422 . . . . 0.0 111.097 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.41 94.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.241 0.544 . . . . 0.0 110.772 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -40.9 73.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.016 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.3 pt -68.05 -25.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.29 27.99 3.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.608 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.404 HG21 ' N ' ' B' ' 619' ' ' ASP . 19.2 mm -66.05 147.34 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.498 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 14.0 t70 -62.83 121.01 12.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.948 0.404 . . . . 0.0 110.421 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.42 69.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -10.55 59.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.021 0.439 . . . . 0.0 111.338 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.556 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 34.6 mtpt -117.68 -4.96 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.675 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.69 -43.73 69.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.418 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.692 ' HA ' ' CD1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.701 -178.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.497 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -63.4 -37.01 85.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.556 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 2.1 m-30 -67.34 -50.95 57.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.37 -32.7 74.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.2 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -50.56 73.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.06 80.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.568 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -45.07 90.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.31 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.504 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.2 mm? -66.77 -39.65 87.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.353 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.479 ' O ' HG13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -63.87 -45.67 88.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.658 0.266 . . . . 0.0 110.342 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.68 -42.88 97.98 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.977 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.86 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -66.02 -43.71 86.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.418 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 632' ' ' SER . 48.6 mt -59.64 -49.08 85.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.583 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.248 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.578 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.1 tt0 -67.58 -41.21 84.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.291 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' B' ' 642' ' ' LEU . . . -64.46 -31.81 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.357 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' MET . . . . . 0.452 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 4.3 mtm -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.509 0.671 . . . . 0.0 109.543 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -5.08 41.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.314 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.514 HD23 ' HB ' ' B' ' 546' ' ' VAL . 0.5 OUTLIER -65.26 130.68 94.83 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.044 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.3 111.0 2.15 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.576 2.184 . . . . 0.0 111.755 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.792 ' HE3' ' HG3' ' B' ' 547' ' ' GLU . 1.2 mttm . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.493 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -151.11 76.73 1.24 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.842 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.648 ' CD1' ' HB2' ' B' ' 538' ' ' SER . 0.1 OUTLIER -51.64 156.81 1.26 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.536 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.44 138.88 58.68 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.143 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 26.8 m-85 -104.49 131.75 51.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.178 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 126.58 37.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' THR . . . . . 0.842 HG22 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -86.2 103.94 15.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.2 tp -88.91 150.36 22.89 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.924 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.68 119.73 31.16 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.378 0.609 . . . . 0.0 109.873 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -120.4 134.03 55.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.915 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 156.92 38.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -39.91 79.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.8 69.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.53 -29.45 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 111.225 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.517 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.8 t80 -55.36 -46.81 76.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.319 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.72 HG21 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -64.12 -33.96 76.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.323 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -65.67 -42.41 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.31 -43.22 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 0.0 111.224 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 638' ' ' GLU . 44.5 t -60.77 -49.57 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -65.86 -32.38 73.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.055 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.561 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.7 t80 -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.3 mt -71.17 -27.2 63.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.422 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 41.3 mmt-85 -62.96 -48.59 78.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.275 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.52 -39.37 90.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.05 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.16 -19.33 56.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.265 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.435 ' HE2' HG21 ' A' ' 636' ' ' ILE . 6.4 mttt -87.03 -29.19 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.605 0.24 . . . . 0.0 111.532 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.97 153.12 49.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 111.563 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.61 127.0 11.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 N-CA-C 108.432 -1.411 . . . . 0.0 108.432 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.83 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.013 0.435 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.47 123.33 37.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -23.9 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.46 0.648 . . . . 0.0 109.277 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -72.23 -42.82 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.449 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 628' ' ' GLU . 1.3 p -122.87 113.1 30.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.066 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 17.3 Cg_exo -66.84 81.17 0.34 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.117 2.544 . . . . 0.0 113.318 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -25.81 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.983 0.42 . . . . 0.0 110.846 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.427 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -60.75 -46.84 88.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.063 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' A' ' 581' ' ' ALA . 12.8 p -75.16 -21.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.278 0.561 . . . . 0.0 110.191 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.506 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -68.44 -37.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.634 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.428 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.2 OUTLIER -73.72 -14.29 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.685 0.755 . . . . 0.0 110.157 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -82.07 -5.77 58.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.736 HG22 ' HB3' ' A' ' 577' ' ' ARG . 2.2 mt -98.83 145.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 111.535 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.566 HD11 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -104.63 123.2 41.01 Favored Pre-proline 0 N--CA 1.441 -0.923 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.694 ' O ' ' HB2' ' A' ' 599' ' ' MET . 22.9 Cg_endo -60.76 -6.42 5.87 Favored 'Trans proline' 0 C--O 1.226 -0.12 0 C-N-CA 122.696 2.264 . . . . 0.0 112.058 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 570' ' ' LEU . 73.0 p -80.53 -16.45 54.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.812 -178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -15.3 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 119.16 -164.17 13.24 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.144 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.456 HD22 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -110.33 -1.73 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -44.5 73.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.736 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.21 -36.43 79.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -59.9 -42.84 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -41.16 87.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 49.9 m -62.62 -39.51 94.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 110.494 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.448 ' HB3' HG13 ' A' ' 565' ' ' VAL . . . -56.0 -40.73 73.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.606 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 10.1 pt -95.45 7.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.43 42.18 18.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.244 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.51 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -81.81 -74.79 0.32 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.74 -64.67 2.96 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.204 -0.522 . . . . 0.0 114.234 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -75.71 -19.72 58.89 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.516 -0.403 . . . . 0.0 111.969 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.82 -25.34 60.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.703 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.463 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -59.85 -26.17 65.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 110.979 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.593 HG13 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.37 -33.44 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.593 HD22 HG13 ' A' ' 589' ' ' VAL . 1.1 mm? -66.75 -36.97 83.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.579 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.463 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 90.9 m-85 -68.33 -38.3 81.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.395 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.6 t-20 -62.24 -41.34 98.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.597 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.42 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.189 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.578 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.0 t30 -81.74 -10.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.068 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.53 27.77 46.22 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.253 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.578 HG13 ' HB3' ' A' ' 594' ' ' ASN . 22.3 mt -85.19 -106.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.771 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . 0.4 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.9 p90 47.74 10.44 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 172.05 11.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.169 0.509 . . . . 0.0 112.361 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.694 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.52 142.77 32.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.794 -179.686 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.86 -47.64 3.58 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.237 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -46.45 88.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.777 0.322 . . . . 0.0 111.377 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -44.03 94.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.85 -40.81 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.555 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -62.61 -44.33 96.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.177 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.682 ' HB3' HG22 ' A' ' 612' ' ' ILE . 1.9 mm-40 -63.33 -36.12 82.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.187 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.459 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 50.6 t80 -67.09 -38.72 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.34 -39.05 78.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -76.22 -32.18 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.196 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.512 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 9.1 m-70 -116.48 -139.73 0.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.006 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.512 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.2 p30 176.63 -22.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.239 -1.346 . . . . 0.0 107.463 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.521 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 24.9 p-10 -111.44 33.84 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.808 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.682 HG22 ' HB3' ' A' ' 605' ' ' GLU . 0.7 OUTLIER -57.55 -54.3 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.347 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.84 -39.39 84.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -37.63 85.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.406 0.622 . . . . 0.0 110.052 178.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.43 78.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.148 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.438 HD13 HD12 ' A' ' 618' ' ' ILE . 47.1 pt -69.45 -25.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.499 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.454 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 113.73 29.8 2.77 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.831 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.576 HG21 ' N ' ' A' ' 619' ' ' ASP . 22.5 mm -65.91 146.1 13.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.576 ' N ' HG21 ' A' ' 618' ' ' ILE . 10.6 t70 -64.25 130.52 44.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.65 72.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.716 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -12.8 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 0.0 111.411 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.665 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 13.6 mtpt -119.93 -9.38 9.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.51 -45.56 69.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -45.18 92.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.339 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.606 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 1.4 tttt -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.665 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.6 m-30 -68.66 -41.7 78.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.964 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.521 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 7.3 m-85 -65.64 -33.62 76.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.453 ' HB3' HG22 ' A' ' 561' ' ' VAL . 0.1 OUTLIER -62.0 -49.44 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.067 0.46 . . . . 0.0 110.176 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.95 78.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -48.32 80.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.668 ' HG ' ' HG ' ' B' ' 538' ' ' SER . 3.2 mm? -61.52 -45.49 94.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.851 0.358 . . . . 0.0 111.827 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 5.5 m -67.55 -36.04 80.21 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -61.75 -41.34 97.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -59.93 -38.45 82.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.092 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.718 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -67.78 -45.29 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.442 HD11 ' HB1' ' A' ' 553' ' ' ALA . 55.1 mt -60.89 -45.91 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.97 0.414 . . . . 0.0 110.184 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -58.98 -42.65 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.572 ' HB3' HG11 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -69.97 -36.18 75.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.9 -27.4 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' MET . . . . . 0.467 ' HE3' HD23 ' A' ' 570' ' ' LEU . 2.7 mtt -67.73 -33.12 74.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.555 0.693 . . . . 0.0 109.53 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -5.99 45.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.72 ' HG ' HG21 ' A' ' 543' ' ' THR . 1.1 tp -70.57 128.25 91.24 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.377 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.98 -41.97 15.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.547 2.165 . . . . 0.0 111.199 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-O 117.873 -1.061 . . . . 0.0 108.895 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.361 0.601 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -82.39 88.92 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.925 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -80.58 136.26 36.22 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.98 134.24 56.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.396 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.58 136.18 33.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.936 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.15 132.63 51.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.19 101.39 13.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.125 0.488 . . . . 0.0 110.602 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.1 tp -93.08 137.2 32.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.231 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.842 HG21 HG22 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.19 121.66 33.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.559 0.695 . . . . 0.0 111.026 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.606 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 1.3 mm? -119.64 120.91 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.781 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.668 ' HG ' ' HG ' ' A' ' 631' ' ' LEU . 9.6 p -81.4 155.94 25.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -30.36 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.78 -48.21 60.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.19 -29.61 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.606 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 69.9 t80 -54.4 -52.4 61.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.513 ' HA ' HD22 ' B' ' 642' ' ' LEU . 15.1 p -61.39 -35.57 77.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -67.34 -44.86 78.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.494 HG22 HD13 ' B' ' 537' ' ' LEU . 30.6 t -71.92 -43.6 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.908 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' B' ' 642' ' ' LEU . 53.5 t -59.35 -50.99 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.264 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.1 mm-40 -68.77 -33.43 73.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.385 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 3.2 t80 -61.1 -50.8 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.631 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.53 -26.92 62.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.11 80.05 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 24.5 mmt85 -63.39 -48.15 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.378 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.9 ' HA ' HH12 ' B' ' 557' ' ' ARG . 4.0 mm-40 -66.08 -33.15 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.415 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.38 -23.21 50.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.586 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.406 ' HE2' HG22 ' B' ' 636' ' ' ILE . 16.1 mttt -86.41 -54.04 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.85 124.23 90.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.837 ' HD3' ' HG3' ' B' ' 564' ' ' GLN . 18.3 Cg_endo -59.13 125.49 18.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.058 1.838 . . . . 0.0 112.013 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . 0.9 HH12 ' HA ' ' B' ' 552' ' ' GLU . 0.0 OUTLIER -150.72 13.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.47 124.56 21.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.134 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -24.14 15.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.556 . . . . 0.0 109.545 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' B' ' 625' ' ' LYS . 29.6 t90 -69.14 -42.91 75.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.039 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -129.36 117.51 18.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.95 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.09 95.74 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.959 2.439 . . . . 0.0 111.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -37.28 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.452 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.837 ' HG3' ' HD3' ' B' ' 556' ' ' PRO . 2.9 tm0? -58.57 -43.34 89.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.957 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.608 ' O ' HG13 ' B' ' 569' ' ' ILE . 13.1 p -69.14 -31.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.3 t -69.12 -41.28 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.436 ' HB3' ' CD1' ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.13 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.519 0.676 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.78 -18.7 43.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.712 HG12 ' HD2' ' B' ' 577' ' ' ARG . 13.3 mt -82.61 144.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.198 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -97.61 123.27 52.68 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.192 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.462 ' O ' ' HB2' ' B' ' 599' ' ' MET . 29.4 Cg_endo -65.98 13.29 0.12 Allowed 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.96 2.44 . . . . 0.0 112.146 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.573 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.7 p -107.91 -8.48 15.94 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.259 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 3.5 mt-10 -92.35 -49.78 5.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.544 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.67 175.71 27.0 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.758 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 602' ' ' MET . 0.2 OUTLIER -92.61 -12.72 30.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 0.0 110.7 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . 0.504 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -56.5 -43.28 79.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.322 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.712 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.22 -37.43 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.079 178.272 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.542 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 20.7 t80 -65.35 -45.75 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.024 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -42.82 97.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.204 0.526 . . . . 0.0 109.772 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 74.4 m -65.95 -40.37 91.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.889 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.427 ' HB3' HG13 ' B' ' 565' ' ' VAL . . . -55.99 -40.96 74.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.718 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.541 HD13 ' HD1' ' B' ' 626' ' ' TYR . 0.6 OUTLIER -92.44 1.9 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.248 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 22.7 mttt 59.59 41.62 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.065 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.416 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -65.36 -70.31 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 117.02 -124.58 6.2 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.288 -0.958 . . . . 0.0 114.241 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -72.46 8.27 1.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -69.62 -24.84 63.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -26.17 63.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.903 0.382 . . . . 0.0 110.548 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.407 HG13 HD21 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -61.43 -34.03 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.298 179.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.407 HD21 HG13 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -67.62 -38.8 84.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.29 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.414 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 90.8 m-85 -67.56 -38.74 84.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.775 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -61.49 -38.34 86.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.01 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.489 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.59 ' HB3' HG13 ' B' ' 596' ' ' ILE . 18.8 t30 -79.65 -8.51 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.355 0.598 . . . . 0.0 110.82 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 85.32 18.94 59.66 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.986 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.59 HG13 ' HB3' ' B' ' 594' ' ' ASN . 9.5 mt -79.72 -106.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 23.8 p90 51.62 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.58 172.99 6.56 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.33 0.586 . . . . 0.0 112.552 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.119 -178.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.51 -39.15 2.12 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.517 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.28 -36.44 73.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.534 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -63.68 -45.0 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.534 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.0 OUTLIER -69.23 -40.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 109.808 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -63.07 -46.43 87.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.486 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.702 ' HB3' HG21 ' B' ' 612' ' ' ILE . 19.8 mm-40 -64.84 -33.86 76.99 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.481 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 74.6 t80 -65.62 -38.77 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.425 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.41 -45.31 76.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.712 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -77.54 -37.25 51.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.344 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.8 m-70 -102.14 -64.34 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.55 -29.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.125 0.89 . . . . 0.0 109.175 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' B' ' 609' ' ' HIS . 53.2 p-10 -105.34 27.14 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.652 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.702 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.2 OUTLIER -54.64 -57.57 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.911 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -38.55 84.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.137 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -43.15 72.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.609 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' B' ' 594' ' ' ASN . 37.6 pt -70.39 -21.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.71 28.3 4.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.58 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.507 HG21 ' CD2' ' B' ' 626' ' ' TYR . 15.1 mm -66.81 145.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.31 138.69 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.688 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.93 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.429 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -9.12 17.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.581 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.9 mtpt -119.08 -11.99 9.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.348 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.74 -45.01 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.765 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -41.7 90.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.534 ' HB2' ' CZ3' ' B' ' 560' ' ' TRP . 0.3 OUTLIER -65.4 -40.43 93.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.72 -179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.581 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 25.1 m-85 -66.29 -48.46 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.961 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -64.17 -31.8 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.098 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -62.88 -51.47 66.88 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.542 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -67.59 -36.87 81.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.225 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . 0.459 ' HB2' ' O ' ' B' ' 626' ' ' TYR . 0.1 OUTLIER -59.21 -49.38 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.899 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -44.56 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.119 0.485 . . . . 0.0 110.043 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 15.5 m -61.27 -46.8 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.511 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.521 ' HA ' HD11 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -64.17 -40.5 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.077 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -59.73 -38.92 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.937 0.398 . . . . 0.0 110.324 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.631 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -67.9 -43.41 79.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.395 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' B' ' 633' ' ' PHE . 19.8 mt -62.58 -48.06 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 110.493 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.98 -41.83 88.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.348 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.48 ' HB3' HG11 ' B' ' 546' ' ' VAL . 0.8 OUTLIER -67.51 -39.6 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.43 -25.94 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.313 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.4 mmm -67.57 -34.8 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.557 0.694 . . . . 0.0 109.993 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -5.92 43.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.187 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 4.9 tp -73.84 119.65 77.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.657 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.81 -105.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.721 2.281 . . . . 0.0 111.378 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.345 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 120.752 0.311 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . 0.463 ' OD1' ' HB3' ' A' ' 623' ' ' LEU . 23.1 t-20 -148.16 -56.39 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.31 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.459 ' HE2' ' CB ' ' B' ' 538' ' ' SER . 1.3 t80 -133.19 134.16 43.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.151 0.5 . . . . 0.0 111.369 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.36 142.26 46.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.152 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.63 157.03 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -145.92 126.6 14.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.937 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.04 106.09 18.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.07 0.462 . . . . 0.0 110.722 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 26.4 tp -92.48 147.55 22.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.721 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.6 121.76 33.56 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.892 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -111.02 144.49 40.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.406 -178.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.729 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -71.28 156.89 39.0 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.864 178.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.49 HG23 ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -67.77 -52.56 35.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.47 84.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.196 0.522 . . . . 0.0 112.17 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.404 ' CD ' HH22 ' B' ' 635' ' ' ARG . 9.5 mt-10 -79.37 -25.96 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 538' ' ' SER . 71.0 t80 -53.4 -45.97 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.72 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.807 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -65.42 -34.53 78.51 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.862 0.363 . . . . 0.0 111.539 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -66.91 -42.83 84.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.31 -42.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.341 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.548 ' HB ' HD23 ' A' ' 642' ' ' LEU . 44.8 t -60.68 -49.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.753 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -63.9 -35.5 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.077 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.562 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -61.22 -51.22 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.9 mt -68.25 -29.65 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.63 74.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.032 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 22.8 mmt85 -64.53 -49.25 72.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.397 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -68.0 -32.92 73.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.43 -19.41 56.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.021 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.36 -53.05 4.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.866 0.365 . . . . 0.0 111.155 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.435 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 1.7 m -80.83 160.69 65.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.228 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 18.8 Cg_endo -64.28 125.87 15.95 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 N-CA-C 109.146 -1.136 . . . . 0.0 109.146 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.04 -41.72 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.03 0.443 . . . . 0.0 110.469 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . 0.436 ' HB3' HG13 ' A' ' 561' ' ' VAL . 9.4 m-85 -88.87 122.47 32.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -19.78 21.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.867 0.365 . . . . 0.0 111.78 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -89.56 -49.73 6.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.927 0.394 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.0 p -104.76 129.81 24.28 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 7.8 Cg_exo -73.45 89.45 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.055 2.503 . . . . 0.0 112.15 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 5.6 p -84.13 -36.25 23.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -56.18 -48.43 76.36 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 581' ' ' ALA . 13.3 p -68.16 -28.54 41.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.448 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -70.49 -39.63 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.197 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.437 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.15 -14.7 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . 0.406 ' HD2' HG21 ' A' ' 565' ' ' VAL . 0.1 OUTLIER -80.46 -15.21 57.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.983 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.637 HG12 ' HD2' ' A' ' 577' ' ' ARG . 5.3 mt -86.23 140.84 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.6 OUTLIER -88.7 123.82 67.02 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.449 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 33.9 Cg_endo -67.79 15.62 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.563 ' H ' ' C ' ' A' ' 570' ' ' LEU . 48.2 p -107.64 -10.56 15.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.15 -122.62 0.08 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.71 16.02 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.766 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.446 HD22 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -92.56 -7.9 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.764 0.316 . . . . 0.0 110.29 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -37.09 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.637 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.92 -38.4 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.15 0.5 . . . . 0.0 110.347 178.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.08 -45.27 89.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.844 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.75 76.37 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.701 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 47.7 m -64.46 -41.24 96.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.822 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.427 ' HB2' HG12 ' A' ' 565' ' ' VAL . . . -58.18 -39.91 80.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.778 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.538 HG13 ' HB3' ' A' ' 584' ' ' ALA . 1.9 pt -94.3 7.03 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.538 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 583' ' ' LYS . 0.0 OUTLIER 59.67 40.14 20.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.52 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.538 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -82.34 -75.45 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.536 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.99 -64.92 2.66 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.933 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -81.26 -15.79 54.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -69.06 -23.5 64.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.537 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -58.51 -26.09 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -33.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.275 0.56 . . . . 0.0 110.326 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.408 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.0 OUTLIER -67.64 -36.3 80.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.346 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.627 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 87.8 m-85 -67.56 -43.1 81.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.664 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.62 -32.5 69.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.98 99.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.225 0.536 . . . . 0.0 110.691 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.524 ' HB3' HD13 ' A' ' 596' ' ' ILE . 21.6 t-20 -79.48 -18.77 51.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.239 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 102.91 17.82 17.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.627 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 1.7 mt -99.03 105.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.797 0.332 . . . . 0.0 111.382 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.2 19.68 2.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.374 0.607 . . . . 0.0 110.078 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.89 153.16 40.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.15 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.449 ' HG3' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.58 163.63 21.35 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 88.19 -51.1 3.96 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -34.5 78.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.408 ' HG2' ' CZ ' ' A' ' 630' ' ' PHE . 7.5 ttp -60.4 -37.45 80.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.572 178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mt -68.32 -39.89 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.511 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.59 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.43 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 27.6 mm-40 -66.02 -34.72 78.74 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.943 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 91.1 t80 -65.31 -39.12 92.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.81 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.71 64.28 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.96 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -80.04 -20.88 44.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.581 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.9 m-70 -118.33 -66.97 1.02 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.498 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 38.3 t30 85.05 -31.13 0.06 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.188 0.93 . . . . 0.0 109.582 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.411 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 18.4 p-10 -102.6 25.32 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.5 OUTLIER -51.26 -56.69 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.777 -178.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.401 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.7 m-85 -57.7 -40.84 80.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.367 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -38.3 87.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.21 0.528 . . . . 0.0 110.397 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -42.8 68.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.005 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 613' ' ' PHE . 41.4 pt -68.97 -23.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.408 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 109.48 30.4 3.58 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.799 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.593 HG23 ' N ' ' A' ' 619' ' ' ASP . 19.9 mm -65.64 146.85 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.593 ' N ' HG23 ' A' ' 618' ' ' ILE . 6.7 t0 -63.8 124.22 20.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.578 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 4.7 m -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.975 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -6.08 52.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.58 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 25.0 mtpt -129.92 -2.08 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.5 tp -53.66 -44.65 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -41.24 89.85 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.457 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 0.2 OUTLIER -70.93 -37.16 72.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.981 0.42 . . . . 0.0 110.869 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.58 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.0 m-85 -68.26 -46.45 70.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.777 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.411 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 6.8 m-85 -65.62 -34.8 79.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.799 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.98 -50.96 64.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.19 87.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' A' ' 602' ' ' MET . 0.5 OUTLIER -61.58 -46.94 87.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.231 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.565 ' O ' ' HG2' ' A' ' 635' ' ' ARG . 3.7 mm? -63.51 -44.57 93.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.428 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 13.1 m -58.47 -44.57 89.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.99 -38.45 82.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.069 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 5.6 mmt180 -66.87 -45.12 79.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 633' ' ' PHE . 11.7 mt -61.67 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.29 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.13 -35.69 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.693 0.283 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.81 -29.03 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -31.55 72.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.526 0.679 . . . . 0.0 110.04 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -7.2 36.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.71 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.807 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -61.23 119.44 45.88 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.566 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.32 60.95 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.973 2.449 . . . . 0.0 111.374 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 1.8 tttm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.653 -179.181 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.039 0.447 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.16 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.763 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.729 ' CE2' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER -149.48 110.21 4.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.404 0.621 . . . . 0.0 111.487 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' SER . . . . . 0.49 ' HB2' HG23 ' A' ' 539' ' ' THR . 59.1 m -121.9 130.66 53.53 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -88.21 128.89 35.46 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.465 0.65 . . . . 0.0 111.293 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -108.04 127.18 53.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.589 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.88 100.79 4.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.176 0.512 . . . . 0.0 110.162 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . 0.487 HD22 HD23 ' B' ' 537' ' ' LEU . 13.0 tp -87.03 138.2 31.7 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.644 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 121.54 33.38 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.487 HD23 HD22 ' B' ' 535' ' ' LEU . 0.4 OUTLIER -120.6 129.82 53.91 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.459 ' CB ' ' HE2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -83.38 158.05 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -47.97 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.99 67.38 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.48 -31.33 70.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.059 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.449 ' HD1' ' CB ' ' B' ' 537' ' ' LEU . 75.7 t80 -58.6 -52.85 63.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.144 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.633 HG23 ' HG ' ' B' ' 642' ' ' LEU . 0.6 OUTLIER -64.45 -34.31 77.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.98 -44.63 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.753 179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.406 HG11 HD12 ' B' ' 549' ' ' LEU . 45.1 t -69.93 -43.34 79.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.048 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.533 ' HB ' HD21 ' B' ' 642' ' ' LEU . 55.9 t -59.77 -49.48 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.147 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.2 OUTLIER -69.14 -35.92 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.727 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.605 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.0 OUTLIER -57.87 -50.9 71.75 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.665 0.269 . . . . 0.0 111.167 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.605 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 8.1 mt -71.15 -29.3 65.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.921 0.391 . . . . 0.0 110.665 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' B' ' 636' ' ' ILE . . . -65.83 -36.37 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.049 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.9 mmt85 -64.54 -46.88 80.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.68 -33.13 74.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.258 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.54 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.46 -53.38 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.061 0.458 . . . . 0.0 111.178 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.07 157.43 45.61 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 126.41 22.43 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 121.091 1.194 . . . . 0.0 109.233 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -36.04 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.082 0.467 . . . . 0.0 110.307 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.78 134.53 34.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -36.07 11.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.152 0.501 . . . . 0.0 111.168 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.405 ' HZ3' ' HA ' ' B' ' 625' ' ' LYS . 1.6 t90 -77.4 -77.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.467 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' B' ' 628' ' ' GLU . 2.1 p -80.52 128.08 73.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.333 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 8.8 Cg_exo -72.56 82.62 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.476 . . . . 0.0 112.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 1.9 p -79.41 -27.34 41.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.567 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -38.9 73.27 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.616 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.541 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -83.32 -27.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.492 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -66.67 -41.61 88.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.421 ' HB3' HD11 ' B' ' 636' ' ' ILE . 1.1 p -74.13 -19.01 60.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.92 -19.21 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.826 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.618 HG12 ' HD2' ' B' ' 577' ' ' ARG . 15.1 mt -78.95 135.43 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.764 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.5 OUTLIER -79.92 121.89 82.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.228 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.526 ' HD2' HD12 ' B' ' 570' ' ' LEU . 38.2 Cg_endo -68.59 21.03 0.14 Allowed 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 123.197 2.598 . . . . 0.0 112.205 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.568 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.6 p -108.92 -8.02 15.33 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.739 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -93.77 -124.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.179 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -136.71 173.83 21.89 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.903 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.486 HD22 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -75.32 -6.54 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.586 0.232 . . . . 0.0 111.138 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -41.19 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.126 0.488 . . . . 0.0 110.224 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.618 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.58 81.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.853 179.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -64.48 -47.56 78.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.209 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.66 94.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.214 0.53 . . . . 0.0 109.704 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 67.5 m -63.97 -44.41 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.066 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.4 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -57.19 -40.16 76.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.463 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.538 HD12 ' HD1' ' B' ' 626' ' ' TYR . 1.1 pt -92.87 6.25 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.128 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 56.67 41.64 28.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.493 0.663 . . . . 0.0 110.021 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -65.96 -61.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.309 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 122.26 -119.54 4.02 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 26.27 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.999 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.608 ' CG ' ' HH ' ' B' ' 626' ' ' TYR . 1.4 m-20 -61.57 -22.51 65.26 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.103 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.538 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.92 -25.07 56.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.36 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.668 HG13 ' N ' ' B' ' 590' ' ' LEU . 0.6 OUTLIER -60.79 -33.44 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 121.327 0.584 . . . . 0.0 109.611 178.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.668 ' N ' HG13 ' B' ' 589' ' ' VAL . 0.8 OUTLIER -71.29 -41.06 70.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.353 179.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.538 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 96.8 m-85 -66.45 -40.71 89.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.753 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.84 -37.74 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.441 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.62 91.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.441 ' HB3' HD11 ' B' ' 596' ' ' ILE . 5.1 t-20 -83.87 -13.15 54.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.77 49.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.486 HG22 HD22 ' B' ' 575' ' ' LEU . 6.4 mt -94.6 94.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.746 0.308 . . . . 0.0 110.422 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.76 21.52 3.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.123 0.487 . . . . 0.0 110.357 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.52 50.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.351 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.471 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.68 148.19 28.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.51 -50.93 4.11 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -177.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -40.34 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.448 ' SD ' ' HE3' ' B' ' 599' ' ' MET . 0.9 OUTLIER -59.13 -39.48 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.67 177.537 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.51 -39.45 82.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.543 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -61.72 -39.93 93.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 36.4 mm-40 -64.8 -36.31 83.91 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.613 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.555 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 12.7 t80 -62.28 -45.33 93.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.74 -44.36 90.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.008 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -79.8 -18.34 51.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.641 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -112.88 -59.25 2.04 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.388 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 7.3 t30 80.41 -33.02 0.12 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.702 0.801 . . . . 0.0 110.446 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' B' ' 609' ' ' HIS . 54.3 p-10 -109.16 26.7 10.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.555 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -52.5 -59.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 113.063 -178.283 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.7 m-85 -58.38 -38.48 77.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 111.142 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.99 -37.09 81.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.269 0.557 . . . . 0.0 110.289 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 615' ' ' ARG . 0.0 OUTLIER -69.68 -41.36 75.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.55 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 36.7 pt -72.27 -23.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.45 30.35 3.35 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.97 -1.109 . . . . 0.0 113.454 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.542 HG23 ' N ' ' B' ' 619' ' ' ASP . 17.2 mm -69.38 142.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.542 ' N ' HG23 ' B' ' 618' ' ' ILE . 11.9 t70 -65.58 128.31 35.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -27.93 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.441 ' HG ' ' CG ' ' B' ' 619' ' ' ASP . 0.0 OUTLIER -75.21 -9.73 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -120.59 -10.77 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.486 . . . . 0.0 110.443 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.524 HD11 HG22 ' B' ' 618' ' ' ILE . 6.1 tp -53.89 -44.01 70.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.626 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.71 87.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.287 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.405 ' HA ' ' HZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.3 -35.92 82.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.139 0.495 . . . . 0.0 110.801 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.619 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 19.9 m-85 -67.14 -51.13 57.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.476 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.75 -32.59 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.634 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.477 ' HG2' HG13 ' B' ' 561' ' ' VAL . 0.3 OUTLIER -61.95 -50.32 72.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.426 0.632 . . . . 0.0 109.624 178.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' B' ' 561' ' ' VAL . . . -67.94 -39.08 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.235 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' B' ' 606' ' ' PHE . 0.5 OUTLIER -57.72 -49.58 76.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.911 179.521 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.614 ' HB3' ' NH1' ' B' ' 635' ' ' ARG . 3.1 mm? -64.34 -42.98 95.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.094 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 66.7 m -60.11 -46.64 88.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.799 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -41.64 96.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -59.95 -41.98 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.614 ' NH1' ' HB3' ' B' ' 631' ' ' LEU . 0.7 OUTLIER -61.87 -45.24 94.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.463 ' HA ' ' HB1' ' B' ' 550' ' ' ALA . 21.7 mt -64.25 -46.62 92.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.68 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.23 -45.23 84.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.38 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.03 -37.13 67.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.55 -24.77 66.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.35 -39.75 92.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.621 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -92.76 -5.22 51.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.068 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.633 ' HG ' HG23 ' B' ' 543' ' ' THR . 2.1 tp -62.12 117.29 28.29 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.438 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.94 59.18 4.62 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.025 2.483 . . . . 0.0 112.402 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.511 ' HD2' ' HB ' ' B' ' 543' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.772 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.955 0.883 . . . . 0.0 108.81 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -150.85 153.0 34.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.665 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.35 122.98 20.01 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.513 0.673 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.8 148.39 51.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.722 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.686 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 8.4 m-30 -96.2 133.94 39.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.714 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -122.55 145.06 48.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.122 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 111.17 19.08 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.326 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' B' ' 542' ' ' TYR . 26.5 tp -95.97 137.87 34.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.54 120.36 32.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.181 0.515 . . . . 0.0 110.77 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 124.46 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.404 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 97.7 p -77.06 156.79 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -59.24 -27.31 65.66 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.88 61.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.927 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 541' ' ' GLU . 0.1 OUTLIER -83.33 -29.62 28.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -53.82 -43.98 69.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.418 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.528 HG23 ' HG ' ' A' ' 642' ' ' LEU . 6.7 p -68.31 -35.16 77.39 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.536 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.57 84.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 -42.64 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.693 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.541 HG13 ' HB3' ' A' ' 638' ' ' GLU . 41.6 t -60.91 -49.1 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.361 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.407 ' CD ' HH12 ' A' ' 551' ' ' ARG . 0.4 OUTLIER -68.51 -34.65 76.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.197 -179.051 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.601 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.2 t80 -60.87 -51.84 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.601 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.9 mt -72.26 -25.85 61.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.563 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.0 76.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.407 HH12 ' CD ' ' A' ' 547' ' ' GLU . 3.5 mmt-85 -68.79 -39.5 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.529 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.8 -36.1 79.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.696 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.87 -32.0 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.448 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 567' ' ' SER . 27.8 mtmt -72.93 -60.25 2.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.099 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 19.6 t -80.66 120.42 79.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 1.4 Cg_endo -44.28 126.47 6.57 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 113.531 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.59 9.97 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . 0.426 ' HB2' ' HG1' ' A' ' 563' ' ' THR . 28.2 m-85 -112.99 140.99 47.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -73.1 0.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -42.76 62.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.42 120.92 68.97 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 111.675 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.482 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 10.0 Cg_exo -72.37 98.39 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.204 2.603 . . . . 0.0 111.224 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.426 ' HG1' ' HB2' ' A' ' 558' ' ' TYR . 0.0 OUTLIER -82.24 -30.68 30.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.68 -178.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.496 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.73 -49.07 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.134 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.409 ' CG1' ' HB1' ' A' ' 581' ' ' ALA . 12.7 p -72.38 -31.36 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.266 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.436 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.0 OUTLIER -68.98 -39.73 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.681 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 554' ' ' LYS . 2.3 p -75.27 -14.06 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.528 . . . . 0.0 110.297 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -21.08 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -86.63 135.12 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.547 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -81.6 129.59 65.02 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.712 ' HB3' ' HE1' ' A' ' 633' ' ' PHE . 33.1 Cg_endo -66.41 15.45 0.11 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 112.876 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 26.1 p -108.1 -0.72 20.95 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.203 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.04 -111.94 0.16 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.403 ' HA2' ' N ' ' A' ' 599' ' ' MET . . . -144.55 -167.72 12.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.716 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -101.09 -1.46 34.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.911 0.356 . . . . 0.0 110.554 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -47.27 75.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.437 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.407 ' CB ' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.46 -37.83 80.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.497 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.67 -43.67 98.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.806 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -64.25 -41.55 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.342 179.501 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 83.0 m -61.57 -40.1 93.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.05 -38.31 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.321 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.521 HG13 ' HB1' ' A' ' 584' ' ' ALA . 6.5 pt -100.36 5.06 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.735 0.303 . . . . 0.0 111.464 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.59 43.88 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.521 ' HB1' HG13 ' A' ' 582' ' ' ILE . . . -117.42 58.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.99 80.15 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.599 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -103.39 -25.05 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.598 ' HB3' ' HH ' ' A' ' 626' ' ' TYR . 1.2 m-20 -74.51 -22.45 59.04 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.089 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.806 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -57.59 -25.9 60.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.654 HG13 ' N ' ' A' ' 590' ' ' LEU . 1.0 OUTLIER -61.93 -33.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.523 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.654 ' N ' HG13 ' A' ' 589' ' ' VAL . 1.4 mm? -64.78 -36.95 85.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.615 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 93.7 m-85 -67.76 -42.49 81.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -56.9 -36.87 70.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.311 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.21 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.432 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.08 -11.63 59.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.584 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.67 22.24 26.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.951 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.615 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 3.7 mt -100.14 98.98 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.921 0.391 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.13 16.58 3.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.059 0.457 . . . . 0.0 110.749 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 150.4 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 571' ' ' PRO . 1.3 ttt -82.49 152.35 26.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . 0.466 ' HA2' HD12 ' A' ' 603' ' ' ILE . . . 91.6 -47.34 2.79 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.04 -38.86 90.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.505 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -63.99 -34.13 77.29 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.743 178.375 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.505 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mt -68.11 -39.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -60.98 -41.5 96.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.393 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.4 -34.68 78.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.114 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.514 ' HA ' ' O ' ' A' ' 609' ' ' HIS . 88.2 t80 -64.86 -36.54 84.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.786 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.35 -47.05 87.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.092 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.51 -40.83 28.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.342 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.514 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 94.5 m-70 -126.65 128.81 47.32 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.501 HD22 ' HD2' ' A' ' 532' ' ' PHE . 25.6 t-20 -91.09 -11.57 38.22 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.552 0.691 . . . . 0.0 110.474 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.39 33.39 4.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.193 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -53.93 -57.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 112.028 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.462 ' CE2' ' HZ ' ' A' ' 591' ' ' PHE . 2.1 m-85 -58.92 -38.9 80.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.283 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -67.94 -36.45 80.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -42.1 74.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.51 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.493 HD12 HD11 ' A' ' 618' ' ' ILE . 36.2 pt -69.79 -25.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.571 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.76 35.52 2.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.596 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.736 HG22 HD12 ' A' ' 623' ' ' LEU . 16.9 mm -67.14 145.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.591 ' N ' HG23 ' A' ' 618' ' ' ILE . 1.1 t70 -65.7 125.37 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.533 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.752 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.64 -26.16 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.08 66.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.267 0.556 . . . . 0.0 110.551 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 29.6 mtmm -122.21 3.43 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.18 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.752 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 15.6 tp -59.87 -43.42 94.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.077 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -48.89 77.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.55 -33.68 76.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.101 179.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.598 ' HH ' ' HB3' ' A' ' 587' ' ' ASP . 0.2 OUTLIER -61.28 -52.7 63.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.05 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.686 ' HB3' ' HZ ' ' A' ' 532' ' ' PHE . 15.9 m-85 -66.2 -32.46 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.153 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -45.49 78.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.629 0.252 . . . . 0.0 110.505 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.35 77.87 Favored 'General case' 0 CA--C 1.524 -0.034 0 CA-C-O 121.251 0.548 . . . . 0.0 109.817 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.217 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.458 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.4 OUTLIER -66.29 -41.14 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.346 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.77 87.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.743 0.306 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.712 ' HE1' ' HB3' ' A' ' 571' ' ' PRO . 7.0 t80 -63.38 -39.0 93.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.248 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.12 -38.21 82.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.88 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.501 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.2 OUTLIER -67.1 -45.43 77.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 16.1 mt -64.83 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.76 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.51 ' HG2' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.04 -46.96 82.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.272 -179.202 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.541 ' HB3' HG13 ' A' ' 546' ' ' VAL . 5.5 tp10 -69.48 -35.78 75.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.705 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.43 -26.36 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.709 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.9 mtt -64.71 -41.76 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.218 0.532 . . . . 0.0 110.094 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -5.73 39.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.996 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.705 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 3.5 tp -63.76 127.72 91.91 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.103 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 543' ' ' THR . 97.4 Cg_endo -89.57 64.36 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.16 2.574 . . . . 0.0 110.804 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.542 ' HA ' ' HD2' ' A' ' 644' ' ' LYS . 1.2 tptp . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.929 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -90.5 -103.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.616 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 4.4 p90 -167.62 128.21 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 141.31 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.651 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -87.05 146.52 26.06 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.143 0.497 . . . . 0.0 110.926 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.89 126.39 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.658 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.62 110.1 22.73 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 1.6 tp -106.73 140.31 39.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.335 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.85 121.59 33.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.221 0.534 . . . . 0.0 109.57 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -115.37 143.09 45.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.23 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.636 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -74.43 154.72 38.64 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -36.07 67.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.876 0.762 . . . . 0.0 112.026 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.65 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.064 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.58 -31.53 47.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.318 0.58 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.444 ' HA ' HD11 ' B' ' 537' ' ' LEU . 83.2 t80 -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.411 HG23 ' HG ' ' B' ' 642' ' ' LEU . 13.6 p -60.46 -35.67 76.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -44.51 87.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.17 -43.24 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.289 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.542 ' HB ' HD23 ' B' ' 642' ' ' LEU . 45.5 t -59.99 -50.91 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.443 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -65.37 -34.46 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.742 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.53 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.4 t80 -59.36 -48.42 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.1 mt -71.6 -32.47 68.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.6 78.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.938 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 0.1 OUTLIER -62.78 -45.92 90.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.361 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.473 ' HA ' ' NH1' ' B' ' 557' ' ' ARG . 2.9 mt-10 -67.5 -32.47 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.788 ' HA ' HG21 ' B' ' 563' ' ' THR . . . -77.91 -27.08 49.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.131 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.4 -47.25 14.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.124 0.488 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . 0.591 ' HB ' HH11 ' B' ' 557' ' ' ARG . 58.7 t -84.91 131.21 49.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.668 ' HD3' ' HG2' ' B' ' 564' ' ' GLN . 10.1 Cg_endo -53.01 128.11 27.67 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.492 2.128 . . . . 0.0 112.127 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . 0.591 HH11 ' HB ' ' B' ' 555' ' ' VAL . 1.3 mpt_? -136.86 -32.74 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.91 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -105.67 151.01 24.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -48.51 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.709 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.487 ' CE3' HG11 ' B' ' 561' ' ' VAL . 0.2 OUTLIER -69.51 -28.92 66.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.699 -179.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.495 ' O ' HG12 ' B' ' 561' ' ' VAL . 7.5 p -120.79 96.74 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.418 0.627 . . . . 0.0 109.478 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.579 ' HB2' HG13 ' B' ' 565' ' ' VAL . 32.4 Cg_exo -58.73 106.91 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.822 2.348 . . . . 0.0 111.758 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 563' ' ' THR . . . . . 0.788 HG21 ' HA ' ' B' ' 553' ' ' ALA . 0.1 OUTLIER -79.72 -39.76 30.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.663 -178.462 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.668 ' HG2' ' HD3' ' B' ' 556' ' ' PRO . 1.3 tm0? -58.62 -49.95 75.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.849 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' B' ' 562' ' ' PRO . 11.0 p -65.06 -31.3 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -67.06 -42.87 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.645 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.448 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -73.18 -13.75 61.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.473 0.654 . . . . 0.0 110.08 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.61 -14.66 54.39 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 4.3 mt -83.57 140.09 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' B' ' 572' ' ' THR . 1.1 mm? -90.71 121.48 68.16 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.683 ' HB3' ' HE1' ' B' ' 633' ' ' PHE . 56.2 Cg_endo -69.72 27.89 0.18 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.229 2.62 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.517 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.8 p -108.86 -17.78 13.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.66 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.9 -110.95 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.43 -170.91 12.89 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.569 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.531 HD11 HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -98.74 2.72 47.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.643 0.258 . . . . 0.0 111.155 -178.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -46.75 76.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.073 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.449 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.8 -38.37 90.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.372 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.656 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 77.1 t80 -63.42 -46.46 86.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.531 HD22 HD11 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.06 -40.53 96.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.479 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -61.09 -41.77 97.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.305 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.19 81.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.112 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.471 ' O ' ' HE2' ' B' ' 625' ' ' LYS . 5.6 pt -94.97 6.39 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.52 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mttm 60.74 40.91 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.299 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.53 ' HB1' ' HE3' ' B' ' 622' ' ' LYS . . . -117.22 53.4 0.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.449 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -71.89 -6.95 64.9 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.961 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -17.16 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.504 0.652 . . . . 0.0 110.848 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.655 ' HB3' ' HH ' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -73.85 -21.72 60.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.071 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.681 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.1 OUTLIER -57.19 -25.57 59.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.828 179.009 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.453 HG13 ' N ' ' B' ' 590' ' ' LEU . 1.0 OUTLIER -59.14 -33.23 49.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.296 0.569 . . . . 0.0 110.112 179.115 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.463 ' HG ' ' C ' ' B' ' 617' ' ' GLY . 0.9 OUTLIER -69.56 -35.62 75.56 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.647 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.681 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 95.9 m-85 -67.37 -43.13 82.18 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.634 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.99 -31.52 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.058 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.01 95.84 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.7 t30 -82.68 -10.04 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.39 20.21 35.96 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.185 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 6.5 mt -98.47 94.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 16.06 4.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.381 0.61 . . . . 0.0 109.663 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 149.32 40.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 2.3 mmt -83.17 139.67 33.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 116.13 -53.51 0.62 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.56 -35.69 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.16 0.505 . . . . 0.0 109.79 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.85 -43.51 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.008 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.48 -40.71 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.929 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -63.66 -44.16 94.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.99 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.22 -35.53 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.486 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.427 ' HA ' HD13 ' B' ' 612' ' ' ILE . 73.6 t80 -62.2 -38.84 90.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.707 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -37.59 80.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.604 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -76.61 -36.31 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.568 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -111.37 -134.92 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.614 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 175.49 -38.06 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -99.78 33.47 2.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.88 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' B' ' 606' ' ' PHE . 1.1 mp -52.41 -57.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.66 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.421 ' CE2' ' HZ ' ' B' ' 591' ' ' PHE . 2.2 m-85 -60.99 -41.61 96.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.052 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.71 -40.24 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 0.0 110.596 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -43.08 73.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.765 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.512 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.8 pt -66.23 -25.3 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . 0.463 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 114.4 27.66 3.29 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.153 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.475 HG22 ' N ' ' B' ' 619' ' ' ASP . 16.3 mm -65.91 144.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.475 ' N ' HG22 ' B' ' 618' ' ' ILE . 19.7 t0 -64.65 121.66 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.067 0.46 . . . . 0.0 110.706 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.687 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.9 OUTLIER -62.14 -24.02 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.53 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -15.43 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.363 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.53 ' HE3' ' HB1' ' B' ' 584' ' ' ALA . 8.4 mtmm -117.69 -1.09 11.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.687 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 2.6 tp -55.6 -45.35 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.416 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.557 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -61.2 -48.93 79.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.389 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.471 ' HE2' ' O ' ' B' ' 582' ' ' ILE . 0.0 OUTLIER -67.19 -33.69 75.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.384 0.611 . . . . 0.0 109.93 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.655 ' HH ' ' HB3' ' B' ' 587' ' ' ASP . 0.2 OUTLIER -64.98 -53.67 42.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.208 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.82 -32.39 73.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' B' ' 624' ' ' SER . 8.5 tp10 -58.75 -51.48 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.656 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -68.83 -44.34 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.148 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -57.49 -49.9 74.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.491 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 3.9 mm? -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.27 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 75.6 m -60.83 -41.6 96.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.068 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.683 ' HE1' ' HB3' ' B' ' 571' ' ' PRO . 7.0 t80 -60.83 -46.12 91.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.815 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.76 -39.04 90.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 631' ' ' LEU . 0.1 OUTLIER -64.66 -44.82 89.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.896 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.448 HD13 ' HB3' ' B' ' 567' ' ' SER . 54.2 mt -62.83 -44.88 99.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.098 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.18 -43.57 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.28 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.49 ' HA ' ' HE2' ' B' ' 641' ' ' LYS . 3.9 tp10 -65.62 -36.26 83.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.734 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.56 -26.33 67.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.814 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 16.9 mtt -67.4 -32.04 72.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.581 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -94.97 -8.64 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.858 179.349 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.734 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.5 tp -69.54 122.97 87.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.414 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.69 60.02 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.676 2.251 . . . . 0.0 111.365 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 121.62 0.724 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . 0.432 ' HB2' HD23 ' A' ' 623' ' ' LEU . 28.9 t30 -87.07 141.77 28.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.438 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.7 -175.51 4.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 133.31 40.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.484 ' CZ ' HD22 ' A' ' 631' ' ' LEU . 7.2 m-85 -92.2 131.7 37.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.25 125.95 50.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 91.57 8.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.107 0.479 . . . . 0.0 109.796 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.34 147.71 22.85 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.183 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.85 122.49 35.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.804 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.64 130.12 56.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.435 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.544 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -73.27 157.88 36.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.196 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -46.97 -55.99 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.04 97.28 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 545' ' ' VAL . 2.7 mm-40 -69.43 -33.63 73.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 0.0 110.259 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.422 ' CD2' ' HD3' ' B' ' 533' ' ' ARG . 71.1 t80 -62.84 -51.13 68.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.347 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.627 HG23 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -66.22 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.905 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -64.6 -43.63 93.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.479 HG12 HG13 ' B' ' 545' ' ' VAL . 69.9 t -71.34 -43.11 73.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 111.59 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.533 ' HB ' HD23 ' A' ' 642' ' ' LEU . 54.4 t -60.79 -49.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.19 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -68.58 -34.82 76.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.551 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -59.0 -49.77 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.118 0.485 . . . . 0.0 110.695 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.4 mt -71.43 -26.99 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.248 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.79 82.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.465 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.3 mmt85 -67.95 -42.01 81.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.23 0.538 . . . . 0.0 110.23 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -67.38 -33.88 76.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.62 -24.86 49.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.523 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -81.41 -48.36 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.386 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.65 121.79 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.97 129.42 33.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.825 2.35 . . . . 0.0 112.608 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.72 22.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.877 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -126.19 139.32 53.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -10.4 10.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.569 0.7 . . . . 0.0 109.125 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.492 ' HH2' ' HB2' ' A' ' 624' ' ' SER . 34.8 t90 -92.93 -44.37 8.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.763 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.2 p -119.15 130.73 24.68 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.334 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 3.3 Cg_exo -77.7 65.6 8.14 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.91 2.406 . . . . 0.0 112.453 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -22.0 61.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -48.56 75.36 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.96 0.409 . . . . 0.0 111.537 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 569' ' ' ILE . 7.5 p -74.62 -25.85 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.38 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.583 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 0.9 OUTLIER -65.53 -42.4 93.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.292 -179.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.471 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -71.17 -16.33 62.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.399 0.619 . . . . 0.0 110.21 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -84.26 -16.97 41.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.606 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.583 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 15.5 mt -78.31 139.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.151 0.5 . . . . 0.0 111.22 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.5 OUTLIER -95.03 119.93 65.11 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.414 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.555 ' O ' ' HB2' ' A' ' 599' ' ' MET . 58.5 Cg_endo -70.91 25.71 0.21 Allowed 'Trans proline' 0 N--CA 1.472 0.21 0 C-N-CA 122.993 2.462 . . . . 0.0 112.21 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.767 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 62.8 p -109.16 -16.68 14.04 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.693 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.5 -19.4 19.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 133.67 -147.12 18.92 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -121.88 3.56 9.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 110.032 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -45.83 77.3 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.746 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.436 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.431 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.04 -44.14 91.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.921 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.855 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -65.44 -38.94 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 20.5 m -65.51 -36.86 85.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.881 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.64 77.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.166 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.424 HD11 ' CZ ' ' A' ' 626' ' ' TYR . 19.6 pt -98.31 5.35 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.751 0.31 . . . . 0.0 111.297 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 40.62 12.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.751 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -112.46 54.29 0.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.251 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -72.89 6.76 11.36 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -108.7 -24.23 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.775 0.787 . . . . 0.0 110.562 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.664 ' HB2' ' HH ' ' A' ' 626' ' ' TYR . 3.2 m-20 -74.25 -21.57 59.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.142 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.855 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -56.94 -25.42 57.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.228 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.672 HG12 ' N ' ' A' ' 590' ' ' LEU . 1.6 p -60.05 -34.13 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.245 0.545 . . . . 0.0 109.932 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.672 ' N ' HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -66.36 -39.31 89.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.595 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 77.3 m-85 -67.7 -42.83 81.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.129 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -40.97 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.208 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.12 96.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.249 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.409 ' HB3' HG13 ' A' ' 596' ' ' ILE . 7.8 t30 -82.57 -11.25 58.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.167 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.97 16.5 56.02 Favored Glycine 0 CA--C 1.511 -0.168 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.292 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 8.1 mt -93.98 106.4 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.93 0.395 . . . . 0.0 111.457 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -167.38 22.87 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.64 172.45 9.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.58 . . . . 0.0 112.317 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.767 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.22 135.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.883 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.91 -28.89 2.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.935 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -64.04 -46.13 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.747 0.419 . . . . 0.0 110.432 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.131 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.6 mt -68.06 -40.79 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.545 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.06 -44.8 91.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.64 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.785 ' HB3' HG22 ' A' ' 612' ' ' ILE . 63.9 mm-40 -61.8 -39.75 92.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.677 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 89.0 t80 -63.73 -42.51 97.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.756 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 20.3 mt-10 -70.54 -42.04 71.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -78.2 -28.7 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.564 ' O ' ' HB2' ' A' ' 610' ' ' ASN . 5.9 m-70 -122.93 -54.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 609' ' ' HIS . 35.8 m-80 79.13 -34.79 0.16 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.235 0.614 . . . . 0.0 109.9 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 609' ' ' HIS . 5.1 p-10 -94.5 20.43 8.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.785 HG22 ' HB3' ' A' ' 605' ' ' GLU . 0.3 OUTLIER -49.96 -58.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.29 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.459 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.0 m-85 -57.8 -44.11 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.989 0.423 . . . . 0.0 111.241 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.47 -39.98 95.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.411 0.624 . . . . 0.0 110.467 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -70.47 -42.63 71.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.24 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.491 HD11 HD13 ' A' ' 618' ' ' ILE . 39.1 pt -67.31 -26.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.604 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.414 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.45 36.03 1.82 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.561 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.599 HG23 ' N ' ' A' ' 619' ' ' ASP . 22.1 mm -67.44 144.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.802 0.301 . . . . 0.0 110.689 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.599 ' N ' HG23 ' A' ' 618' ' ' ILE . 0.8 OUTLIER -66.12 129.97 41.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.656 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -65.2 -26.79 68.29 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -177.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -22.12 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.107 0.479 . . . . 0.0 111.043 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.67 7.77 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.656 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 24.3 tp -61.9 -42.77 99.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.492 ' HB2' ' HH2' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -63.16 -48.25 79.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.4 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 2.9 ttpt -67.45 -34.14 76.59 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.664 ' HH ' ' HB2' ' A' ' 587' ' ' ASP . 0.2 OUTLIER -60.88 -52.28 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.599 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.405 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 11.2 m-85 -66.74 -32.35 73.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.837 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.89 -49.84 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.199 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.19 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.414 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -61.09 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.264 -179.186 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.484 HD22 ' CZ ' ' A' ' 532' ' ' PHE . 0.5 OUTLIER -58.67 -44.15 90.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.898 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 3.2 m -64.01 -41.33 97.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.327 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.535 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 10.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.705 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -61.87 -40.91 97.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.402 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -63.66 -45.37 90.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 567' ' ' SER . 38.7 mt -62.78 -46.37 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 110.099 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -59.41 -44.31 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.582 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.446 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -59.2 -29.34 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.565 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 4.3 mtm -66.16 -34.93 79.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.663 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -5.55 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.706 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.627 ' HG ' HG23 ' A' ' 543' ' ' THR . 2.6 tp -63.66 123.67 82.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.233 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 19.7 Cg_endo -87.97 -95.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.992 2.461 . . . . 0.0 111.172 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.793 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.959 0.409 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.484 ' HB3' HD21 ' B' ' 623' ' ' LEU . 17.6 p-10 -96.09 -176.34 3.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.165 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.487 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.2 p90 -122.78 173.93 7.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 148.75 30.7 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.71 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -115.61 137.33 52.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . 0.422 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 5.5 mtp180 -131.23 141.61 50.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.331 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.56 143.14 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.697 0.284 . . . . 0.0 111.388 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 14.5 tp -133.96 140.45 46.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.84 124.19 36.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.536 0.684 . . . . 0.0 111.533 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.568 HD11 HG23 ' B' ' 545' ' ' VAL . 0.7 OUTLIER -119.66 126.9 52.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.911 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 156.18 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -42.24 63.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.57 91.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.71 -29.37 36.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.768 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -54.91 -51.59 65.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.047 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.487 HG21 ' HG ' ' B' ' 642' ' ' LEU . 9.3 p -62.12 -37.12 83.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.805 0.336 . . . . 0.0 111.735 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -66.38 -44.71 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.568 HG23 HD11 ' B' ' 537' ' ' LEU . 92.9 t -70.74 -41.49 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.26 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.571 HG13 ' HB3' ' B' ' 638' ' ' GLU . 43.6 t -59.79 -50.42 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.42 -39.03 93.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.696 -179.489 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.533 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.8 OUTLIER -58.81 -48.82 79.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.3 mt -71.29 -35.65 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.55 83.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.5 mmt180 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.551 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -68.38 -32.59 72.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.569 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -76.65 -27.93 55.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.889 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -73.11 -32.68 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.614 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.35 112.76 59.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.565 ' HB3' ' HB3' ' B' ' 564' ' ' GLN . 20.7 Cg_endo -61.24 126.59 19.74 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.123 1.882 . . . . 0.0 112.857 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 8.59 4.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.187 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -130.65 125.72 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.645 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -14.32 26.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.694 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 8.7 t90 -70.33 -52.86 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.345 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 1.8 p -115.09 123.48 31.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.193 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.59 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 16.3 Cg_exo -68.17 85.07 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.11 2.54 . . . . 0.0 112.564 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.95 -19.08 22.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.17 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.565 ' HB3' ' HB3' ' B' ' 556' ' ' PRO . 4.3 pm0 -62.3 -47.59 83.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.807 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.507 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 14.5 p -78.72 -26.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.648 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.561 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.0 -39.43 85.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.431 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.478 ' HB3' HD11 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.83 -14.15 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.203 0.525 . . . . 0.0 110.793 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -87.87 -15.99 35.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.428 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.841 HG21 ' HB3' ' B' ' 577' ' ' ARG . 25.1 mt -76.24 137.73 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.301 0.572 . . . . 0.0 111.933 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.56 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -93.75 121.26 64.91 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 177.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.518 ' HB3' ' HE2' ' B' ' 633' ' ' PHE . 35.1 Cg_endo -66.99 15.43 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 122.955 2.437 . . . . 0.0 112.516 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.56 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.5 p -107.87 0.22 21.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -16.91 15.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.451 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 120.03 -151.07 17.44 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.442 ' O ' HD21 ' B' ' 579' ' ' LEU . 0.2 OUTLIER -115.03 -8.87 12.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.007 0.404 . . . . 0.0 110.735 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.59 74.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.926 0.393 . . . . 0.0 111.461 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.841 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.15 -37.05 83.73 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.152 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.434 ' HA ' HD11 ' B' ' 569' ' ' ILE . 46.6 t80 -65.78 -42.62 90.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.858 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -63.83 -44.4 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.5 m -62.03 -38.81 90.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.952 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.506 ' HB3' ' CG1' ' B' ' 565' ' ' VAL . . . -56.18 -42.4 77.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.194 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.59 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 4.9 pt -96.15 6.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.951 0.405 . . . . 0.0 110.674 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.87 41.78 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.715 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -111.88 54.06 0.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.182 0.515 . . . . 0.0 110.915 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.94 4.08 Favored Glycine 0 N--CA 1.454 -0.164 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.033 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -166.11 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.908 0.861 . . . . 0.0 108.868 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.554 ' CB ' ' HH ' ' B' ' 626' ' ' TYR . 0.7 OUTLIER -73.64 -21.07 60.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.165 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.75 ' HB3' HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -56.89 -26.05 58.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.818 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.453 HG11 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.3 -33.44 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.301 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.453 HD22 HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.71 -35.64 80.6 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.85 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 88.2 m-85 -67.44 -44.34 78.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.571 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.28 -35.29 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.206 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.87 83.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.437 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -86.55 -8.07 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.57 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.3 21.58 31.99 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.387 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 5.3 mt -104.98 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.62 17.46 1.48 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.888 0.375 . . . . 0.0 110.587 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.96 172.55 8.86 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 5.9 ptp -81.08 134.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.341 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 83.24 -28.19 3.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.47 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -42.14 81.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.903 0.382 . . . . 0.0 110.554 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.427 ' HB3' HD23 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -65.49 -38.79 90.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -68.14 -40.52 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 109.693 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -47.05 87.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.271 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.612 ' HB3' HG23 ' B' ' 612' ' ' ILE . 4.6 mm-40 -64.27 -35.55 81.21 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.039 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -66.77 -36.55 82.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.502 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.397 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -77.19 -40.42 45.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.381 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.78 144.84 51.24 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -1.85 20.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.775 0.797 . . . . 0.0 109.312 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.483 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 29.8 p-10 -114.07 27.25 9.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.283 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.612 HG23 ' HB3' ' B' ' 605' ' ' GLU . 0.5 OUTLIER -52.55 -60.73 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.932 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.51 ' HE2' ' CD1' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.89 -38.59 76.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.201 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' B' ' 623' ' ' LEU . 0.6 OUTLIER -66.24 -38.93 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.151 0.501 . . . . 0.0 110.299 179.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -69.88 -41.99 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.927 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.445 HD11 HD12 ' B' ' 618' ' ' ILE . 37.7 pt -69.78 -24.41 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.24 3.38 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.603 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.542 HG22 ' N ' ' B' ' 619' ' ' ASP . 21.8 mm -67.53 143.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.92 0.36 . . . . 0.0 110.166 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.799 ' HB3' ' HD2' ' B' ' 622' ' ' LYS . 15.5 t0 -66.84 124.77 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.2 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.762 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -59.31 -28.64 66.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.413 ' HG ' ' CG ' ' B' ' 619' ' ' ASP . 0.4 OUTLIER -66.53 -17.97 65.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.462 179.59 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.799 ' HD2' ' HB3' ' B' ' 619' ' ' ASP . 2.8 mttt -113.86 -10.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.065 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.762 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 12.4 tp -54.49 -45.11 73.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.748 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.694 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.52 -47.76 82.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.947 0.403 . . . . 0.0 111.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -34.61 77.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.434 0.635 . . . . 0.0 109.787 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.554 ' HH ' ' CB ' ' B' ' 587' ' ' ASP . 0.5 OUTLIER -62.33 -52.54 63.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.815 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.483 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 11.7 m-85 -65.68 -32.57 74.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.446 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.65 84.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.503 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.72 -49.93 75.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.116 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.544 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.7 mm? -65.52 -44.66 86.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.864 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 19.3 m -63.84 -36.07 82.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.518 ' HE2' ' HB3' ' B' ' 571' ' ' PRO . 16.8 t80 -60.03 -42.04 93.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.668 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.64 -41.39 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.51 ' HD3' HD11 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' B' ' 567' ' ' SER . 20.4 mt -66.07 -45.04 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.24 -47.03 84.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.151 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.571 ' HB3' HG13 ' B' ' 546' ' ' VAL . 7.5 tp10 -63.58 -37.49 87.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.0 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.481 ' HA ' HD21 ' B' ' 642' ' ' LEU . . . -61.05 -27.41 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -28.71 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.431 0.634 . . . . 0.0 109.768 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.25 -6.39 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.665 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.526 HD23 ' HB ' ' B' ' 546' ' ' VAL . 0.8 OUTLIER -69.3 117.06 48.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.004 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.81 -9.08 11.04 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 4.9 mttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.054 -179.69 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.227 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.8 157.24 36.29 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.534 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 0.2 OUTLIER -122.69 124.62 43.83 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.91 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 1.9 m -71.33 138.23 49.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.845 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.426 ' CE2' ' HE1' ' A' ' 606' ' ' PHE . 50.3 m-85 -88.44 140.61 29.29 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.249 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.41 126.67 28.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.645 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' THR . . . . . 0.461 HG21 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.7 115.98 21.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.959 0.409 . . . . 0.0 109.935 178.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.89 150.12 25.12 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.71 122.36 32.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 0.0 109.937 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 542' ' ' TYR . 2.0 mm? -118.45 134.79 54.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.602 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.508 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.8 OUTLIER -83.0 158.43 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -43.21 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.36 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -80.6 -30.39 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.258 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.469 ' HA ' HD13 ' A' ' 537' ' ' LEU . 74.7 t80 -55.7 -51.52 67.02 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.55 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.427 ' CG2' ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -67.14 -33.66 75.91 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.214 0.53 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -44.24 84.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.494 HG11 HD12 ' A' ' 549' ' ' LEU . 83.8 t -70.97 -44.89 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.229 0.538 . . . . 0.0 111.771 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.541 ' HB ' HD22 ' A' ' 642' ' ' LEU . 59.1 t -59.46 -49.5 83.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.082 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -68.85 -34.14 74.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.588 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -59.42 -50.76 72.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.179 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.3 mt -71.86 -27.62 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.45 -33.24 75.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 37.3 mmt-85 -63.28 -48.39 78.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.909 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 557' ' ' ARG . 14.8 mt-10 -65.86 -32.15 73.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.51 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -76.65 -24.55 53.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.052 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.532 ' HE2' HG22 ' A' ' 636' ' ' ILE . 21.9 mtmt -95.28 -55.96 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.323 0.582 . . . . 0.0 109.965 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.92 127.27 43.71 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.3 124.79 8.17 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.517 2.145 . . . . 0.0 112.736 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.447 ' HB2' ' HA ' ' A' ' 552' ' ' GLU . 1.3 mtt180 -163.06 16.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.342 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -100.56 150.76 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -19.27 54.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.108 0.48 . . . . 0.0 109.928 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 3.1 t90 -154.95 148.25 25.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.523 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.418 HG23 ' HD2' ' A' ' 562' ' ' PRO . 0.5 OUTLIER 81.08 135.6 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 112.402 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 561' ' ' VAL . 78.0 Cg_endo -85.23 98.73 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.052 2.501 . . . . 0.0 111.593 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 1.7 p -79.07 -22.32 45.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.22 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.87 -48.21 75.96 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 581' ' ' ALA . 13.0 p -68.75 -30.08 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.994 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.2 t -71.13 -38.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.475 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -14.53 62.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 110.059 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -10.69 59.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.407 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 566' ' ' VAL . 3.8 mt -92.27 141.58 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.634 ' O ' ' HG2' ' A' ' 573' ' ' GLU . 0.6 OUTLIER -94.5 127.95 42.03 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.205 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.709 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 32.4 Cg_endo -67.55 18.96 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.215 0 C-N-CA 122.856 2.371 . . . . 0.0 112.436 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.566 ' H ' ' C ' ' A' ' 570' ' ' LEU . 45.8 p -108.25 -13.28 14.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -97.77 -109.64 0.17 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.727 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -147.06 158.71 27.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.914 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.05 -4.89 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.671 0.388 . . . . 0.0 112.032 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 577' ' ' ARG . 0.5 OUTLIER -55.32 -38.25 68.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 120.658 0.266 . . . . 0.0 110.356 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.491 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.55 -37.52 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 0.0 110.297 178.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.79 -45.48 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.508 ' O ' HG12 ' A' ' 582' ' ' ILE . 0.3 OUTLIER -66.35 -42.22 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 109.896 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 17.1 m -62.04 -37.17 83.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.472 ' HB3' HG11 ' A' ' 565' ' ' VAL . . . -55.55 -47.46 76.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.26 0.552 . . . . 0.0 111.061 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.817 HD11 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -88.65 8.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.977 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.12 39.97 18.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.273 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.496 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -81.2 -85.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.217 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.7 -47.0 2.96 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 121.085 -0.579 . . . . 0.0 114.527 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -79.74 -42.76 23.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.309 0.576 . . . . 0.0 111.814 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.67 -22.35 66.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.878 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.526 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -58.17 -25.1 61.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.092 0.473 . . . . 0.0 110.346 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.503 HG11 ' N ' ' A' ' 590' ' ' LEU . 1.2 p -60.15 -34.52 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.503 ' N ' HG11 ' A' ' 589' ' ' VAL . 1.1 mm? -65.25 -36.01 82.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.778 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.526 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 92.0 m-85 -68.26 -43.16 78.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.822 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.93 -40.23 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.7 80.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.418 ' HB3' HG13 ' A' ' 596' ' ' ILE . 22.2 t30 -83.55 -4.8 58.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.208 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 82.86 24.63 52.37 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.227 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.473 HG21 HD23 ' A' ' 575' ' ' LEU . 20.1 mt -89.77 -96.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.691 -0.255 . . . . 0.0 110.524 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . 0.421 ' H ' ' HB ' ' A' ' 596' ' ' ILE . 27.5 p90 54.39 -10.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.578 1.551 . . . . 0.0 115.168 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' THR . . . . . 0.472 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -112.4 151.13 30.18 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.646 . . . . 0.0 110.501 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.448 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.86 135.43 34.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.987 0.422 . . . . 0.0 110.03 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 119.18 -59.58 0.52 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.464 ' OD1' ' HD2' ' A' ' 604' ' ' ARG . 31.3 t70 -61.86 -34.81 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 109.977 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.472 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.785 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.472 ' N ' ' HG2' ' A' ' 602' ' ' MET . 2.3 mt -68.57 -40.88 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . 0.464 ' HD2' ' OD1' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -62.58 -39.64 94.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.944 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.537 ' HB3' HG21 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -66.72 -34.07 77.04 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.972 178.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 18.8 t80 -64.94 -42.72 94.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.4 -42.34 92.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.0 OUTLIER -76.48 -25.2 54.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.328 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 4.6 m-70 -117.64 -133.92 0.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 0.0 111.328 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.501 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER 169.97 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -179.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -109.54 32.18 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.8 OUTLIER -52.44 -54.41 15.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.749 -178.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.2 m-85 -60.92 -42.07 97.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . 0.638 ' HG3' HD13 ' A' ' 623' ' ' LEU . 1.0 OUTLIER -63.56 -40.13 96.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.305 179.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.58 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.3 pt -75.39 -19.51 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 108.96 27.62 4.79 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.371 -0.918 . . . . 0.0 113.244 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.846 HG22 HD11 ' A' ' 623' ' ' LEU . 11.6 mm -65.98 146.44 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.6 ' N ' HG23 ' A' ' 618' ' ' ILE . 19.7 t0 -66.01 121.62 15.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.642 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -65.57 -28.15 68.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.23 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -15.02 61.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 110.637 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -120.5 0.71 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.846 HD11 HG22 ' A' ' 618' ' ' ILE . 0.6 OUTLIER -55.7 -45.48 77.84 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.273 -179.151 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -40.12 91.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.547 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 0.8 OUTLIER -70.03 -38.5 75.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.159 0.505 . . . . 0.0 110.05 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.817 ' HD1' HD11 ' A' ' 582' ' ' ILE . 16.6 m-85 -67.53 -50.98 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.543 ' O ' HD23 ' A' ' 631' ' ' LEU . 15.9 m-85 -65.35 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.74 -50.82 72.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.525 0.678 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.68 80.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.857 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -49.84 72.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.734 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.715 ' O ' ' HD2' ' A' ' 635' ' ' ARG . 1.9 mm? -62.11 -44.77 95.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 5.0 m -55.7 -42.05 74.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.388 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.709 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 5.4 t80 -62.58 -44.04 97.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.49 -39.96 92.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.715 ' HD2' ' O ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -63.95 -45.64 88.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.532 HG22 ' HE2' ' A' ' 554' ' ' LYS . 34.2 mt -62.41 -47.22 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.433 . . . . 0.0 110.685 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -57.26 -46.71 82.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -37.41 86.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 0.0 110.542 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.04 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.305 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.8 mtm -70.12 -30.7 67.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.169 0.509 . . . . 0.0 109.782 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.41 -4.76 44.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.712 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.541 HD22 ' HB ' ' A' ' 546' ' ' VAL . 1.9 tp -56.21 131.02 75.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.482 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.13 53.14 3.71 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.097 2.531 . . . . 0.0 112.202 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.714 -179.454 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 528' ' ' THR . . . . . 0.688 ' HB ' ' HB3' ' B' ' 624' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.213 0.53 . . . . 0.0 112.145 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.411 HD21 ' CD2' ' B' ' 623' ' ' LEU . 19.0 t-20 -96.08 82.43 3.49 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -91.96 161.3 14.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.096 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.96 142.94 28.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.947 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.84 138.9 31.05 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.982 0.42 . . . . 0.0 110.121 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 126.44 54.17 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 117.75 28.54 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.419 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.14 142.5 34.81 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.461 HG23 HG21 ' A' ' 534' ' ' THR . 0.0 OUTLIER -90.92 119.32 31.02 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.329 0.585 . . . . 0.0 110.247 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.3 OUTLIER -121.45 135.19 55.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.277 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.47 156.47 20.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -40.85 77.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.73 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -26.27 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 111.23 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.451 ' HA ' HD13 ' B' ' 537' ' ' LEU . 88.2 t80 -52.3 -47.37 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.296 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.754 ' HB ' ' HG3' ' B' ' 644' ' ' LYS . 1.0 OUTLIER -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -43.37 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.562 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.427 ' CG1' HG12 ' A' ' 545' ' ' VAL . 77.8 t -71.06 -43.28 76.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.474 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.516 ' HB ' HD22 ' B' ' 642' ' ' LEU . 43.0 t -60.23 -50.74 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.65 -30.73 71.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.773 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.511 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -66.87 -48.15 69.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 13.9 mt -72.28 -30.31 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.669 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -60.99 -32.53 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.603 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt-85 -63.15 -47.61 81.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.45 . . . . 0.0 110.084 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.06 -32.45 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.498 ' O ' ' HB ' ' B' ' 563' ' ' THR . . . -76.7 -31.09 57.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.244 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -75.56 -51.17 13.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 80.4 t -105.92 107.79 60.29 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.36 127.62 9.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.449 2.766 . . . . 0.0 114.064 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 20.6 3.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.098 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.84 159.35 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.723 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 2.6 m -72.82 -28.31 62.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.179 0.514 . . . . 0.0 110.781 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.476 ' HH2' ' CD ' ' B' ' 625' ' ' LYS . 33.0 t90 -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.578 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.4 OUTLIER 80.4 126.1 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 0.0 112.096 179.02 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 71.7 Cg_endo -94.95 81.06 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 123.591 2.86 . . . . 0.0 111.508 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 563' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -70.08 -10.88 60.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.536 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -58.7 -50.28 74.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -179.234 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' B' ' 581' ' ' ALA . 7.1 p -71.52 -28.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.513 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -67.06 -39.76 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -14.36 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.252 0.549 . . . . 0.0 110.294 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.67 -17.35 48.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.203 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 7.7 mt -77.22 145.96 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.4 OUTLIER -93.93 117.84 67.24 Favored Pre-proline 0 C--N 1.318 -0.804 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.559 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 43.7 Cg_endo -67.08 18.29 0.11 Allowed 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 123.134 2.556 . . . . 0.0 113.017 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.54 ' H ' ' C ' ' B' ' 570' ' ' LEU . 44.7 p -108.33 -10.17 15.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -89.97 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -160.74 162.32 33.4 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.548 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.522 ' HB3' ' HE2' ' B' ' 602' ' ' MET . 0.1 OUTLIER -73.18 -3.19 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.848 0.459 . . . . 0.0 111.887 -179.205 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -41.85 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.064 0.459 . . . . 0.0 110.852 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.487 ' CB ' HG21 ' B' ' 569' ' ' ILE . 0.3 OUTLIER -68.23 -36.99 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.13 179.022 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.9 -47.73 82.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.591 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 575' ' ' LEU . 0.3 OUTLIER -64.48 -38.33 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 58.0 m -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.713 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.489 ' HB3' HG11 ' B' ' 565' ' ' VAL . . . -58.56 -44.2 89.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.111 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.48 HD11 ' HD1' ' B' ' 626' ' ' TYR . 3.0 pt -86.88 11.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.04 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.39 38.77 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.366 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.778 ' HB1' ' OD1' ' B' ' 587' ' ' ASP . . . -101.94 -107.11 0.25 Allowed 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 88.46 -1.25 83.97 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 114.856 0.703 . . . . 0.0 114.856 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -113.74 -13.46 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.372 1.082 . . . . 0.0 109.254 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.778 ' OD1' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -76.04 -22.81 55.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.757 179.196 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.452 ' HA ' ' HD2' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -56.25 -25.72 48.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.485 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.494 HG13 ' N ' ' B' ' 590' ' ' LEU . 1.3 p -59.51 -34.04 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.815 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.494 ' N ' HG13 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -71.82 -40.28 69.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.762 0.792 . . . . 0.0 109.043 179.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.458 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.3 m-85 -67.33 -39.69 85.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.506 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 32.6 t30 -62.81 -40.33 97.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.88 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.97 86.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.182 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -82.52 -8.7 59.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 84.74 25.0 43.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.336 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.493 HG23 HD22 ' B' ' 575' ' ' LEU . 19.1 mt -83.37 -89.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.818 -0.191 . . . . 0.0 110.723 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 20.6 p90 46.42 6.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' THR . . . . . 0.435 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -132.41 151.46 51.87 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.998 -0.439 . . . . 0.0 110.245 178.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.559 ' SD ' ' HA ' ' B' ' 571' ' ' PRO . 0.2 OUTLIER -82.08 142.35 32.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.147 0.499 . . . . 0.0 110.383 -179.146 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 102.04 -45.84 1.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -40.46 96.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.522 ' HE2' ' HB3' ' B' ' 575' ' ' LEU . 0.0 OUTLIER -65.99 -35.14 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.682 178.7 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.481 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.8 OUTLIER -67.11 -39.53 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -43.26 91.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.396 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.624 ' HB3' HG21 ' B' ' 612' ' ' ILE . 2.8 mm-40 -68.29 -34.17 75.68 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.204 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.431 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 9.6 t80 -64.18 -41.68 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.11 -46.28 88.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -17.55 56.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.893 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.527 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 6.5 m-70 -122.51 -140.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.258 0.552 . . . . 0.0 111.157 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . 0.527 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 8.1 p30 175.54 -19.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -116.05 34.88 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.181 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.7 OUTLIER -55.05 -57.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.823 -178.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.535 ' O ' ' HB ' ' B' ' 618' ' ' ILE . 3.0 m-85 -58.28 -45.2 88.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.94 -37.66 80.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.009 0.433 . . . . 0.0 110.55 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -69.8 -41.82 74.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.453 HD12 HG12 ' B' ' 618' ' ' ILE . 35.6 pt -72.56 -9.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 97.92 30.61 7.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.377 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.763 HG21 HD13 ' B' ' 623' ' ' LEU . 1.5 mm -65.33 146.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 122.458 0.303 . . . . 0.0 110.469 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.494 ' N ' HG22 ' B' ' 618' ' ' ILE . 7.4 t70 -65.45 120.39 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.74 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.528 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -64.8 -34.67 78.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.447 -178.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -13.21 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.747 ' HB3' ' HE2' ' B' ' 625' ' ' LYS . 23.6 mtmm -133.39 13.17 4.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.904 0.383 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.763 HD13 HG21 ' B' ' 618' ' ' ILE . 8.3 tp -56.02 -44.02 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.852 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.688 ' HB3' ' HB ' ' B' ' 528' ' ' THR . 0.0 OUTLIER -60.81 -40.62 93.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.163 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.747 ' HE2' ' HB3' ' B' ' 622' ' ' LYS . 1.9 ttpt -62.69 -40.31 96.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.69 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.533 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 30.3 m-85 -67.82 -51.29 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -63.79 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.667 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -53.12 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.427 0.632 . . . . 0.0 109.564 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.64 69.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.51 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.4 -50.86 68.65 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.508 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 3.1 mm? -66.75 -42.27 86.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' B' ' 553' ' ' ALA . 19.7 m -61.65 -39.38 91.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 571' ' ' PRO . 42.3 t80 -61.97 -45.89 91.66 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.31 -38.12 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 541' ' ' GLU . 0.4 OUTLIER -62.71 -45.64 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.125 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.579 ' O ' ' HG3' ' B' ' 640' ' ' MET . 20.5 mt -64.68 -47.61 88.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -56.9 -41.85 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.064 -178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.9 -42.68 89.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.054 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -59.68 -27.12 66.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.958 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' MET . . . . . 0.579 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -68.52 -34.84 76.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.206 0.527 . . . . 0.0 110.006 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -94.72 -6.67 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.152 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.1 tp -68.35 129.57 92.74 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.7 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.455 ' HD2' HG22 ' B' ' 543' ' ' THR . 95.2 Cg_endo -87.4 41.5 0.72 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.024 2.483 . . . . 0.0 111.637 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.754 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.528 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 63.8 t30 59.09 -120.68 1.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.586 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.1 p90 -161.84 164.19 28.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.911 0.386 . . . . 0.0 110.471 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.35 124.16 27.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.539 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.457 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 14.0 m-85 -90.4 131.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.01 132.12 54.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.755 0.312 . . . . 0.0 111.39 -178.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' THR . . . . . 0.44 HG21 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -82.75 112.38 19.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.341 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' B' ' 542' ' ' TYR . 19.4 tp -96.04 140.15 31.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.528 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.86 121.8 33.8 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.2 mm? -119.36 120.11 35.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -178.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.52 157.98 31.62 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -39.33 35.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.752 0.705 . . . . 0.0 112.36 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.94 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -31.32 50.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.063 0.459 . . . . 0.0 111.244 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -57.01 -50.8 71.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.899 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.589 HG21 ' HG ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -64.83 -36.36 84.07 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.941 0.401 . . . . 0.0 111.806 -178.237 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -65.93 -41.77 90.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 42.0 t -71.48 -42.26 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.154 0.502 . . . . 0.0 111.444 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 638' ' ' GLU . 41.5 t -60.43 -50.89 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.201 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.8 OUTLIER -68.8 -32.54 72.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.195 -178.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.538 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -59.82 -50.28 74.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 110.632 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.649 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 15.0 mt -71.19 -27.19 63.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.726 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.88 77.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.078 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.9 mmt-85 -62.6 -48.44 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 0.0 110.245 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.622 ' HA ' ' HD2' ' A' ' 557' ' ' ARG . 12.4 mt-10 -67.72 -32.91 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.463 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.78 46.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.098 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.495 ' HE2' HG21 ' A' ' 636' ' ' ILE . 17.9 mttt -76.9 -55.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 0.0 110.22 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 76.9 t -94.34 123.85 57.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.654 ' HG3' ' HB3' ' A' ' 564' ' ' GLN . 82.2 Cg_exo -44.86 126.93 7.88 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.592 2.195 . . . . 0.0 112.832 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.622 ' HD2' ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -131.39 -51.58 1.01 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.486 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -122.53 128.34 50.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.74 14.95 1.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.88 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -43.68 98.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 110.025 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 628' ' ' GLU . 2.9 m -134.54 153.93 79.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.727 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.06 60.66 6.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.97 2.447 . . . . 0.0 111.579 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.452 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -66.7 -28.56 68.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.143 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.654 ' HB3' ' HG3' ' A' ' 556' ' ' PRO . 0.1 OUTLIER -55.44 -39.77 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 111.655 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 581' ' ' ALA . 11.4 p -89.57 -27.42 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.005 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.561 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -65.33 -40.9 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.49 ' HB3' HD13 ' A' ' 636' ' ' ILE . 1.1 p -72.45 -15.06 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -80.94 -10.77 59.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.577 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.77 HG12 ' HD2' ' A' ' 577' ' ' ARG . 1.6 mt -97.11 145.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.582 0.706 . . . . 0.0 112.244 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 572' ' ' THR . 1.0 OUTLIER -107.25 126.11 30.85 Favored Pre-proline 0 N--CA 1.44 -0.944 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.264 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.608 ' HG3' ' HG3' ' A' ' 637' ' ' GLN . 48.2 Cg_endo -66.25 0.74 3.02 Favored 'Trans proline' 0 CA--C 1.521 -0.148 0 C-N-CA 122.634 2.223 . . . . 0.0 111.857 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.445 ' H ' ' C ' ' A' ' 570' ' ' LEU . 69.9 p -80.58 -16.65 53.63 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.861 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -101.33 9.72 41.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.016 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 108.65 -156.29 15.76 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.154 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -124.04 -8.49 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.699 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -39.37 68.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.633 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.77 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.78 -37.53 84.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.793 0.33 . . . . 0.0 110.788 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.52 -42.73 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.083 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 575' ' ' LEU . 0.4 OUTLIER -62.67 -44.12 97.06 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.01 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 18.0 m -60.83 -36.25 78.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.47 ' HB3' HG13 ' A' ' 565' ' ' VAL . . . -56.41 -39.97 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.364 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 584' ' ' ALA . 9.2 pt -96.86 8.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.992 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 65.02 39.18 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.444 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.703 ' HB1' ' OH ' ' A' ' 626' ' ' TYR . . . -109.42 47.19 0.94 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.39 -16.84 58.87 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 114.049 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.34 -15.23 16.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.336 0.568 . . . . 0.0 110.809 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 584' ' ' ALA . 1.2 m-20 -75.37 -24.05 57.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.973 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.502 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.08 -24.93 60.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.203 0.525 . . . . 0.0 110.116 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 590' ' ' LEU . 0.8 OUTLIER -59.22 -33.82 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.263 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.459 ' N ' HG13 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.362 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 58.2 m-85 -68.03 -42.87 79.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.365 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.38 -40.25 81.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.083 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.54 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.167 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.42 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.1 t30 -80.86 -14.77 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.844 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.25 20.4 35.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.175 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 6.9 mt -95.7 104.57 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.78 10.52 0.29 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.282 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.07 172.02 8.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.071 0.462 . . . . 0.0 112.04 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.7 ptp -80.89 150.2 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.762 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.78 -48.1 3.8 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.82 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.34 -45.25 84.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.49 -46.11 91.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.615 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.51 ' HA ' ' OH ' ' A' ' 634' ' ' TYR . 2.1 mp -65.96 -42.0 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -40.19 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.956 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.535 ' HB3' HG21 ' A' ' 612' ' ' ILE . 8.3 mm-40 -64.81 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.076 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 90.0 t80 -66.53 -38.87 88.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 0.0 110.464 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.17 -44.81 64.76 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -26.99 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.1 m-70 -115.37 -49.82 2.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 81.89 -39.07 0.12 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.775 0.83 . . . . 0.0 111.517 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.31 43.32 1.24 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.508 0.671 . . . . 0.0 110.228 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 605' ' ' GLU . 0.5 OUTLIER -56.51 -53.06 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.588 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.449 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.8 m-30 -58.08 -40.21 80.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.488 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -39.71 94.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.297 0.57 . . . . 0.0 110.377 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -42.58 75.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.376 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 596' ' ' ILE . 50.3 pt -70.4 -22.99 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.78 21.51 5.35 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.858 -1.163 . . . . 0.0 114.136 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.5 HG21 ' N ' ' A' ' 619' ' ' ASP . 15.4 mm -66.38 143.94 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.5 ' N ' HG21 ' A' ' 618' ' ' ILE . 8.2 t70 -65.85 127.91 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.938 0.399 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.676 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.32 -28.44 69.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.457 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -10.46 59.07 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 111.306 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.463 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 22.7 mtpt -122.79 -4.82 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 109.654 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.676 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 2.8 tp -54.59 -46.28 73.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.933 -177.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -63.64 -34.47 77.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.942 0.401 . . . . 0.0 111.18 -179.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.703 ' OH ' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-30 -68.52 -49.07 62.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.381 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.491 ' CE2' ' HG ' ' A' ' 623' ' ' LEU . 20.6 m-85 -65.6 -32.27 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.463 ' HB3' HG12 ' A' ' 561' ' ' VAL . 2.5 tp10 -60.96 -51.0 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.887 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.423 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.486 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.0 OUTLIER -58.42 -48.77 79.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.264 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.11 94.96 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.93 89.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.486 ' HA ' HD11 ' A' ' 636' ' ' ILE . 42.6 t80 -59.94 -46.09 90.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.407 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . 0.51 ' OH ' ' HA ' ' A' ' 603' ' ' ILE . 4.4 m-30 -63.66 -37.35 87.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.965 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.649 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -64.86 -44.09 90.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.916 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 640' ' ' MET . 13.1 mt -59.26 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.618 ' HA ' ' HE1' ' A' ' 640' ' ' MET . 0.0 OUTLIER -57.14 -47.06 82.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.82 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.59 ' HB3' HG13 ' A' ' 546' ' ' VAL . 26.1 tp10 -67.11 -38.01 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.078 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.667 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.74 -27.02 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.495 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' MET . . . . . 0.618 ' HE1' ' HA ' ' A' ' 637' ' ' GLN . 8.4 mtt -68.15 -35.76 78.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.08 0.467 . . . . 0.0 109.854 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -6.6 38.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.649 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.667 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 2.0 tp -64.4 129.5 94.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.593 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.7 141.8 17.56 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.795 2.33 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.988 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.655 ' ND2' ' HA ' ' B' ' 624' ' ' SER . 5.6 t-20 -105.13 -95.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.436 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.435 ' H ' ' HB3' ' B' ' 529' ' ' ASN . 0.5 OUTLIER -154.26 152.25 30.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.97 -179.076 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 158.52 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.825 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.16 137.03 50.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 135.98 51.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.854 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.61 133.1 33.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.816 0.341 . . . . 0.0 111.497 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 7.7 tp -128.74 143.01 50.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.44 HG21 HG21 ' A' ' 534' ' ' THR . 0.0 OUTLIER -92.62 121.88 34.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.25 0.548 . . . . 0.0 110.951 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -119.77 139.93 51.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.397 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.52 154.73 28.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.586 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.01 -42.94 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.47 77.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -80.13 -31.12 39.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.864 0.364 . . . . 0.0 111.29 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.53 ' HA ' HD11 ' B' ' 537' ' ' LEU . 85.4 t80 -57.16 -50.8 71.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.672 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.508 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 2.2 p -60.93 -35.34 76.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.009 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.84 -45.05 83.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.654 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.69 -42.83 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.428 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.8 t -59.64 -51.19 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.911 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' B' ' 550' ' ' ALA . 1.4 mm-40 -70.05 -30.67 67.99 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.01 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.475 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -60.38 -49.15 78.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.145 178.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.684 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 14.3 mt -71.21 -31.35 67.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . 0.484 ' HB3' ' HE3' ' B' ' 554' ' ' LYS . . . -64.1 -32.52 74.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.393 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 548' ' ' PHE . 56.9 mmt-85 -59.44 -49.48 77.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.531 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.479 ' HB3' ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -68.33 -32.54 72.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.643 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.31 -21.93 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.007 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.484 ' HE3' ' HB3' ' B' ' 550' ' ' ALA . 18.5 mtmt -95.34 -52.23 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.729 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.8 t -88.87 130.26 45.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.2 127.16 2.09 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.88 2.387 . . . . 0.0 112.573 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . 0.479 ' HD2' ' HB3' ' B' ' 552' ' ' GLU . 5.6 ttm180 -164.43 -34.77 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.436 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 123.0 29.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 -17.52 18.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.586 ' CH2' ' HB2' ' B' ' 624' ' ' SER . 0.1 OUTLIER -63.94 -46.67 83.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.8 p -151.25 131.9 7.31 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.609 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.05 112.38 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.918 2.412 . . . . 0.0 111.512 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.62 -16.25 14.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -44.42 78.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 111.5 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' B' ' 581' ' ' ALA . 11.7 p -72.16 -28.07 28.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.518 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.2 t -70.09 -39.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -17.55 61.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.426 0.632 . . . . 0.0 109.933 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -21.06 56.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.298 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.626 HG12 ' HB3' ' B' ' 577' ' ' ARG . 17.1 mt -74.7 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.603 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.577 ' C ' ' H ' ' B' ' 572' ' ' THR . 5.3 tp -86.73 115.41 62.3 Favored Pre-proline 0 N--CA 1.437 -1.11 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.693 ' O ' ' HB2' ' B' ' 599' ' ' MET . 35.7 Cg_endo -65.85 19.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.918 2.412 . . . . 0.0 112.802 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.577 ' H ' ' C ' ' B' ' 570' ' ' LEU . 22.7 p -108.53 -16.13 14.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.056 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -57.79 3.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.81 -127.0 1.6 Allowed Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.86 -3.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.717 0.258 . . . . 0.0 111.188 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -55.29 -45.13 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.616 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.626 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.55 -36.69 85.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.457 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.19 -42.87 99.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.776 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.764 HD22 ' HB3' ' B' ' 588' ' ' SER . 0.2 OUTLIER -66.26 -40.02 89.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 76.2 m -62.36 -41.24 98.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.112 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.422 ' HB3' HG13 ' B' ' 565' ' ' VAL . . . -55.75 -40.43 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.567 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' B' ' 584' ' ' ALA . 5.9 pt -98.86 4.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.225 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.98 41.82 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.298 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.49 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -108.03 52.42 0.71 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.003 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.04 65.7 3.73 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.978 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -168.85 -35.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.425 ' CB ' ' HH ' ' B' ' 626' ' ' TYR . 1.3 m-20 -74.13 -21.92 59.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.764 ' HB3' HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -57.15 -25.85 59.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.875 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.503 HG11 ' N ' ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.359 179.432 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.503 ' N ' HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.14 -36.3 82.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.783 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 84.0 m-85 -67.86 -43.01 80.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.345 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.98 -36.5 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.075 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.09 99.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.413 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.412 ' HB3' HD11 ' B' ' 596' ' ' ILE . 54.1 t30 -83.16 -10.26 58.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 111.249 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.33 22.9 33.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.087 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 7.5 mt -98.9 87.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.77 0.319 . . . . 0.0 111.521 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.16 18.03 2.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.286 0.565 . . . . 0.0 109.988 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 171.9 13.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.693 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.1 OUTLIER -82.18 153.48 25.96 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.246 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.47 -46.66 3.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.539 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . 0.501 ' OD1' ' HD3' ' B' ' 604' ' ' ARG . 0.6 OUTLIER -57.01 -41.75 79.08 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.671 0.389 . . . . 0.0 111.902 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -47.03 87.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.379 0.609 . . . . 0.0 110.417 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.45 -39.61 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.792 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -60.31 -42.19 95.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.779 178.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.774 ' HB3' HG22 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -65.81 -33.06 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.71 178.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.428 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 70.7 t80 -64.49 -37.22 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 0.0 109.751 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.186 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -75.64 -41.03 55.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.426 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.431 ' C ' ' H ' ' B' ' 611' ' ' ASP . 35.5 m-70 -120.49 -41.42 2.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.62 -38.67 0.32 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.341 0.656 . . . . 0.0 110.794 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 609' ' ' HIS . 0.5 OUTLIER -100.84 35.18 2.25 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.774 HG22 ' HB3' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -49.34 -54.52 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.373 -178.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.404 ' N ' ' HD1' ' B' ' 613' ' ' PHE . 2.1 m-85 -58.01 -43.96 86.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.712 -178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -38.49 88.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.412 0.625 . . . . 0.0 110.163 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -42.75 76.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.659 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.95 -24.06 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . 0.41 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 113.38 29.58 2.92 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.113 -1.041 . . . . 0.0 113.33 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.532 HG21 ' N ' ' B' ' 619' ' ' ASP . 13.0 mm -66.74 146.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.533 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 18.9 t70 -64.42 121.62 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.118 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.5 OUTLIER -61.35 -33.51 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -13.1 62.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.097 0.475 . . . . 0.0 110.784 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.533 ' HD3' ' HB3' ' B' ' 619' ' ' ASP . 22.9 mtpt -113.55 -4.91 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.713 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -55.33 -44.61 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.087 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.655 ' HA ' ' ND2' ' B' ' 529' ' ' ASN . 0.0 OUTLIER -60.51 -48.28 82.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.42 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -34.57 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.387 0.613 . . . . 0.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.425 ' HH ' ' CB ' ' B' ' 587' ' ' ASP . 0.4 OUTLIER -64.14 -53.26 52.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.434 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.546 ' HB2' ' ND2' ' B' ' 529' ' ' ASN . 21.3 m-85 -66.41 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.916 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.91 -50.86 72.11 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.189 0.519 . . . . 0.0 109.684 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.2 82.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.061 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . 0.41 ' HD1' ' HA ' ' B' ' 630' ' ' PHE . 0.7 OUTLIER -59.74 -48.95 79.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.97 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.432 ' O ' ' HD2' ' B' ' 635' ' ' ARG . 0.5 OUTLIER -57.61 -44.98 85.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.261 0.553 . . . . 0.0 110.195 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 6.6 m -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.579 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.99 -40.47 97.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.26 -39.98 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.172 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.684 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -69.04 -45.45 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.264 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.63 -43.6 95.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.755 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -47.65 81.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.992 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.5 ' HG2' ' HH ' ' B' ' 542' ' ' TYR . 1.0 OUTLIER -66.99 -36.03 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.144 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.67 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.02 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -30.03 68.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.737 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.5 -5.92 41.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.432 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.508 ' HG ' ' CG2' ' B' ' 543' ' ' THR . 0.9 OUTLIER -65.05 131.86 95.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.188 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.403 ' HD2' HG22 ' B' ' 543' ' ' THR . 73.5 Cg_endo -77.98 69.65 7.38 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.858 2.372 . . . . 0.0 112.009 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.502 ' HB3' ' HE2' ' B' ' 644' ' ' LYS . 8.4 ttpt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.092 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.881 0.372 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . 0.476 HD21 HD21 ' A' ' 623' ' ' LEU . 8.9 p-10 -67.48 -28.88 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.28 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 611' ' ' ASP . 0.1 OUTLIER -123.59 118.05 26.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.698 0.761 . . . . 0.0 112.545 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.5 ' HB2' ' CG2' ' B' ' 539' ' ' THR . 1.5 m -157.95 74.8 0.74 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.373 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.16 135.54 38.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.263 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -143.68 126.78 16.47 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' THR . . . . . 0.739 HG22 HG21 ' B' ' 536' ' ' THR . 0.0 OUTLIER -79.57 100.32 7.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 2.5 tp -83.91 145.34 28.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.215 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.41 121.2 32.17 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 542' ' ' TYR . 2.2 mm? -119.57 126.94 52.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.121 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 157.16 32.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -52.67 -40.46 62.89 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.213 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.62 72.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.484 ' OE2' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -80.62 -27.26 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.513 ' HA ' HD13 ' A' ' 537' ' ' LEU . 87.7 t80 -53.99 -46.02 71.6 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.758 HG21 ' HG ' ' A' ' 642' ' ' LEU . 5.4 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.285 0.564 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -44.83 90.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.84 -43.6 68.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.81 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.503 ' HB ' HD23 ' A' ' 642' ' ' LEU . 51.6 t -59.91 -50.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.063 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.6 OUTLIER -68.66 -32.78 72.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.113 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.547 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -58.76 -50.77 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.3 mt -72.01 -29.03 63.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.175 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.96 79.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -65.72 -44.46 86.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 179.177 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -33.37 74.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.45 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.112 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 636' ' ' ILE . 21.0 mttt -84.08 -57.31 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.269 0.557 . . . . 0.0 110.356 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.2 119.58 68.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.418 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 13.6 Cg_endo -57.11 128.36 29.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.447 2.098 . . . . 0.0 112.548 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.88 -32.11 3.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.515 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.64 146.26 52.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.152 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -2.66 52.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -62.51 -34.07 76.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.936 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.46 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.3 p -132.83 129.06 21.04 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.8 Cg_exo -74.43 64.71 5.52 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.978 2.452 . . . . 0.0 112.274 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -30.74 65.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.5 ' HG3' ' H ' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -57.11 -47.79 80.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.7 p -73.99 -26.98 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.116 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.475 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.31 -41.63 86.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.631 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -15.02 60.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 109.685 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -80.04 -11.74 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.112 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -94.56 142.13 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.434 178.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.3 OUTLIER -86.04 127.83 60.38 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.544 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.638 ' HB3' ' HE1' ' A' ' 633' ' ' PHE . 37.3 Cg_endo -68.01 17.63 0.14 Allowed 'Trans proline' 0 N--CA 1.471 0.16 0 C-N-CA 122.831 2.354 . . . . 0.0 112.553 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.534 ' H ' ' C ' ' A' ' 570' ' ' LEU . 35.0 p -108.43 -14.25 14.7 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.691 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.27 -61.24 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.9 -150.33 18.65 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.43 -11.87 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.584 0.23 . . . . 0.0 110.774 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.492 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.09 -41.66 75.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.58 -37.59 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.514 ' HE1' ' HB2' ' A' ' 629' ' ' ALA . 45.9 t80 -62.25 -47.01 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.237 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -40.91 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.4 m -61.15 -42.35 98.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.578 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.44 ' HB1' ' CG1' ' A' ' 565' ' ' VAL . . . -56.2 -42.57 77.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.689 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.439 HG13 ' HB3' ' A' ' 584' ' ' ALA . 15.9 pt -92.23 8.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.631 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.07 40.83 32.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.962 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.439 ' HB3' HG13 ' A' ' 582' ' ' ILE . . . -60.48 -62.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.694 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 91.74 -106.7 3.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.928 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.99 -12.66 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.465 ' HA ' HD21 ' A' ' 590' ' ' LEU . 5.4 m-20 -63.62 -26.42 68.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 0.0 110.84 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.404 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.8 OUTLIER -62.16 -26.59 68.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.357 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.477 HG11 HD23 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -63.88 -33.14 60.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.069 0.461 . . . . 0.0 110.525 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 589' ' ' VAL . 1.2 mm? -62.92 -34.35 77.28 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.191 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.543 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 85.0 m-85 -67.48 -43.09 81.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.821 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -31.02 69.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.376 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.71 92.55 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.433 ' HB3' HD13 ' A' ' 596' ' ' ILE . 60.9 t30 -81.22 -10.12 59.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.741 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.0 19.03 37.76 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.123 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 3.6 mt -93.45 92.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.763 0.316 . . . . 0.0 111.173 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.17 6.9 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.929 0.395 . . . . 0.0 110.577 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.58 170.67 12.95 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.251 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.531 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -83.0 160.25 22.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.69 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.37 -48.38 3.8 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.09 -38.83 84.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.37 0.268 . . . . 0.0 111.692 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.11 -43.18 92.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.594 0.235 . . . . 0.0 110.725 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.447 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.7 OUTLIER -68.85 -41.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.223 0.535 . . . . 0.0 109.819 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -60.62 -46.55 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.3 mm-40 -64.9 -34.65 78.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.55 ' CZ ' HD12 ' A' ' 631' ' ' LEU . 1.0 OUTLIER -64.26 -45.25 88.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.734 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.5 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.713 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -21.55 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.805 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.2 m-70 -115.92 -133.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.516 . . . . 0.0 111.303 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.443 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 37.8 t30 170.33 -28.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.211 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.455 ' HA ' ' OH ' ' A' ' 530' ' ' TYR . 23.3 p-10 -114.08 34.94 4.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.943 -1.48 . . . . 0.0 111.37 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 606' ' ' PHE . 0.7 OUTLIER -53.8 -57.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 627' ' ' TYR . 3.0 m-85 -58.87 -39.95 82.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -37.09 84.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.51 0.671 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -42.57 75.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.462 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 45.7 pt -70.9 -25.29 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.584 0.23 . . . . 0.0 111.377 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.474 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.53 32.59 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.31 -0.948 . . . . 0.0 113.853 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 619' ' ' ASP . 18.8 mm -66.3 144.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.096 0.448 . . . . 0.0 110.151 179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.576 ' N ' HG22 ' A' ' 618' ' ' ILE . 2.7 t0 -65.3 121.14 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 110.202 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.539 ' HA ' ' CB ' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -60.5 -27.67 67.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -22.26 66.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.225 0.536 . . . . 0.0 111.101 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 0.3 OUTLIER -125.36 -4.47 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.542 -179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' A' ' 627' ' ' TYR . 1.3 tp -53.69 -45.27 70.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -43.79 97.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.311 0.577 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.54 -37.7 85.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.576 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.3 m-30 -61.58 -45.74 92.83 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.885 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.607 ' HE2' HD13 ' A' ' 623' ' ' LEU . 15.8 m-85 -65.39 -30.88 71.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.553 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.55 -52.21 64.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . 0.514 ' HB2' ' HE1' ' A' ' 578' ' ' PHE . . . -67.97 -35.55 78.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.714 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.71 -50.55 68.72 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.168 0.587 . . . . 0.0 112.223 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.55 HD12 ' CZ ' ' A' ' 606' ' ' PHE . 2.1 mm? -67.1 -45.1 78.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.895 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 71.7 m -59.79 -35.65 75.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.638 ' HE1' ' HB3' ' A' ' 571' ' ' PRO . 29.6 t80 -62.76 -46.39 88.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -61.29 -38.18 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 631' ' ' LEU . 35.5 mtt-85 -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.542 HG22 ' HE2' ' A' ' 554' ' ' LYS . 73.5 mt -61.79 -45.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.96 -45.37 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.214 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.88 -37.7 88.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.767 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.34 -27.79 68.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 19.4 mtt -68.82 -30.07 68.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.633 . . . . 0.0 109.513 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . 0.487 ' HB2' ' HE3' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -96.15 -6.07 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.886 178.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 1.7 tp -74.37 124.0 89.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.487 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.9 Cg_exo -76.33 -91.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.939 2.426 . . . . 0.0 110.551 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.749 179.061 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.408 ' OD1' HD21 ' B' ' 623' ' ' LEU . 2.8 t-20 -81.7 -50.05 9.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.145 0.498 . . . . 0.0 110.475 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.653 ' OH ' ' HA ' ' B' ' 611' ' ' ASP . 0.2 OUTLIER -86.78 77.4 9.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.117 0.96 . . . . 0.0 113.324 -177.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 531' ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 58.3 m -146.87 77.05 1.45 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 113.975 -1.466 . . . . 0.0 107.152 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -85.71 127.76 34.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.931 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.47 127.69 54.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.519 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.05 92.96 7.99 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.347 0.594 . . . . 0.0 110.501 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 11.9 tp -84.02 137.71 33.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.395 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.739 HG21 HG22 ' A' ' 534' ' ' THR . 0.0 OUTLIER -89.43 129.8 35.88 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.316 0.579 . . . . 0.0 110.633 -179.18 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.506 HD13 HG23 ' B' ' 545' ' ' VAL . 2.3 mm? -119.56 130.17 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.84 155.11 17.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.5 ' CG2' ' HB2' ' A' ' 531' ' ' SER . 0.2 OUTLIER -34.41 -53.04 0.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.98 76.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . 0.485 ' HB3' HD21 ' A' ' 549' ' ' LEU . 1.3 mt-10 -80.99 -31.21 34.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.475 ' HA ' HD11 ' B' ' 537' ' ' LEU . 90.1 t80 -56.01 -53.01 62.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.614 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.664 HG23 ' HG ' ' B' ' 642' ' ' LEU . 1.2 p -63.47 -37.11 86.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.165 0.507 . . . . 0.0 110.573 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -46.66 77.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.534 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.506 HG23 HD13 ' B' ' 537' ' ' LEU . 60.2 t -71.19 -42.19 75.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.626 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.537 ' HB ' HD21 ' B' ' 642' ' ' LEU . 48.9 t -59.3 -49.33 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.576 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' B' ' 543' ' ' THR . 0.0 OUTLIER -68.01 -40.38 82.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.227 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -57.17 -49.36 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.487 0.184 . . . . 0.0 111.272 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 18.0 mt -71.0 -26.66 63.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.765 0.317 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.88 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.072 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -63.41 -40.01 96.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.25 -32.83 74.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.493 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' B' ' 632' ' ' SER . . . -78.47 -39.58 38.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.46 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 39.7 mttt -66.8 -59.01 3.92 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.307 0.575 . . . . 0.0 109.486 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . 0.459 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 47.1 t -96.63 111.29 56.72 Favored Pre-proline 0 N--CA 1.445 -0.712 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.492 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -42.38 124.16 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.988 2.459 . . . . 0.0 113.278 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 4.5 mpp_? -144.3 9.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.064 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.44 129.74 56.22 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.117 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 559' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -93.8 150.32 20.48 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' B' ' 625' ' ' LYS . 79.0 t90 79.06 -43.32 0.32 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.939 0.775 . . . . 0.0 111.569 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.26 126.06 30.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.81 137.51 53.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.652 2.235 . . . . 0.0 111.777 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -34.17 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.492 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 20.9 tt0 -56.07 -47.59 77.69 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.504 ' O ' HG13 ' B' ' 569' ' ' ILE . 10.3 p -67.01 -31.86 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.47 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.28 -41.27 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.528 0.204 . . . . 0.0 111.516 -178.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.2 p -72.07 -16.52 62.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 110.083 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -80.81 -13.41 58.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.806 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.761 HG12 ' HD2' ' B' ' 577' ' ' ARG . 5.1 mt -90.69 146.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.497 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -99.11 122.71 51.48 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.225 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.557 ' O ' ' HB2' ' B' ' 599' ' ' MET . 20.6 Cg_endo -65.4 7.75 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.731 2.287 . . . . 0.0 111.88 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 570' ' ' LEU . 40.1 p -104.64 -1.04 26.92 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.32 -67.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 175.14 168.8 36.19 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.35 -10.44 54.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.895 0.347 . . . . 0.0 111.321 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -39.72 73.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.39 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.761 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.41 -37.49 83.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.29 -46.79 85.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.241 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' B' ' 579' ' ' LEU . 0.2 OUTLIER -63.39 -40.21 96.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.129 0.49 . . . . 0.0 109.905 179.455 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 63.7 m -63.33 -41.87 98.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.899 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.462 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -57.12 -38.96 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.227 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.423 HG13 ' HB1' ' B' ' 584' ' ' ALA . 1.9 pt -95.41 5.09 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.615 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.7 42.23 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.743 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' B' ' 587' ' ' ASP . . . -61.7 -49.47 76.34 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.295 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 74.4 -111.0 3.26 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.86 -23.38 66.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.512 ' HB2' ' HB3' ' B' ' 584' ' ' ALA . 1.8 m-20 -62.12 -29.25 70.2 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -26.2 68.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.07 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.448 HG13 HD21 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -64.22 -33.54 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' B' ' 587' ' ' ASP . 1.5 mm? -60.69 -36.69 79.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.403 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 57.0 m-85 -68.37 -46.47 69.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -37.11 83.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.59 91.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.826 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.485 ' HB3' HD13 ' B' ' 596' ' ' ILE . 5.1 t-20 -82.39 -11.54 58.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.322 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.42 13.6 44.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.301 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' B' ' 594' ' ' ASN . 3.6 mt -97.0 92.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.119 0.485 . . . . 0.0 110.58 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.67 -3.6 4.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.379 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.53 171.67 7.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.47 0.652 . . . . 0.0 112.3 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.32 160.97 22.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.713 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.5 -41.49 1.87 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.848 -0.614 . . . . 0.0 113.054 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.39 -43.64 79.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.891 0.476 . . . . 0.0 111.635 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -41.87 94.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.0 OUTLIER -68.4 -40.12 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.301 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' B' ' 604' ' ' ARG . 1.7 ttm105 -64.79 -46.67 81.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.719 ' HB3' HG21 ' B' ' 612' ' ' ILE . 6.7 mm-40 -61.14 -33.33 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.015 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.535 ' HZ ' HD11 ' B' ' 631' ' ' LEU . 82.5 t80 -67.24 -39.72 86.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.956 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 65.1 mt-10 -73.52 -41.08 63.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -36.72 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.687 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 1.8 m-70 -109.43 -58.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 81.13 -19.3 0.44 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.843 0.714 . . . . 0.0 110.061 -178.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.653 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 8.7 p-10 -114.88 30.47 7.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.48 0.657 . . . . 0.0 110.036 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.719 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.3 OUTLIER -55.96 -57.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.642 -178.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.453 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.3 m-85 -57.53 -37.62 73.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.848 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.17 -38.73 82.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 109.94 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -42.32 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.562 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' B' ' 613' ' ' PHE . 45.0 pt -71.7 -25.2 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.18 31.65 2.8 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 119.944 -1.122 . . . . 0.0 113.979 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.585 HG22 ' N ' ' B' ' 619' ' ' ASP . 17.1 mm -66.45 145.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.585 ' N ' HG22 ' B' ' 618' ' ' ILE . 36.7 t0 -65.32 120.39 12.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -27.58 67.19 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -19.17 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.659 0.266 . . . . 0.0 111.122 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HB2' ' HE2' ' B' ' 622' ' ' LYS . 6.6 mtmm -125.83 -8.54 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.518 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' B' ' 627' ' ' TYR . 0.3 OUTLIER -53.29 -44.77 68.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.484 0.714 . . . . 0.0 112.422 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -43.24 93.37 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.084 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.561 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.85 -38.44 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.756 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.438 ' HH ' ' CG ' ' B' ' 587' ' ' ASP . 2.2 m-30 -61.27 -47.76 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.714 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.553 ' HE2' HD13 ' B' ' 623' ' ' LEU . 27.3 m-85 -64.91 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.74 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.89 -49.15 78.85 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.61 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.174 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -49.41 72.81 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.292 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.535 HD11 ' HZ ' ' B' ' 606' ' ' PHE . 2.5 mm? -64.55 -43.97 92.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.825 0.345 . . . . 0.0 110.701 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.512 ' HB3' ' HB1' ' B' ' 553' ' ' ALA . 15.6 m -62.69 -40.84 98.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.129 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.6 OUTLIER -65.35 -41.8 93.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.892 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -60.11 -38.28 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -42.82 97.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.065 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' B' ' 633' ' ' PHE . 60.5 mt -61.78 -44.62 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -44.19 81.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.112 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.535 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.54 -35.19 65.51 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.829 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.98 -26.06 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -66.51 -30.78 71.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 0.0 109.864 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -6.15 40.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' B' ' 543' ' ' THR . 3.3 tp -67.22 128.22 93.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.152 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 6.7 Cg_exo -72.25 -75.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 0.0 111.073 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.007 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' THR . . . . . 0.632 ' HB ' HD21 ' A' ' 623' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.253 0.549 . . . . 0.0 109.58 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.32 115.98 31.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.639 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.9 OUTLIER -99.4 160.08 14.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.405 0.621 . . . . 0.0 111.601 -177.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.44 129.75 42.08 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.255 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.514 ' CE1' HD21 ' A' ' 631' ' ' LEU . 77.4 m-85 -100.73 129.22 46.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.101 179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.64 134.02 49.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.095 0.474 . . . . 0.0 111.899 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.05 96.51 8.53 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' B' ' 634' ' ' TYR . 32.2 tp -91.37 142.51 27.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.687 -178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.83 120.86 32.92 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.7 OUTLIER -118.92 136.97 53.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.76 -177.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -79.8 155.54 27.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -37.56 64.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -177.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -80.74 -27.63 36.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.089 0.471 . . . . 0.0 111.494 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 537' ' ' LEU . 83.4 t80 -53.66 -47.68 70.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.678 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' A' ' 644' ' ' LYS . 1.2 p -64.83 -34.43 78.35 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -43.62 83.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.21 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.625 HG11 HG13 ' B' ' 545' ' ' VAL . 97.8 t -71.13 -43.9 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.631 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.576 ' HB ' HD22 ' A' ' 642' ' ' LEU . 54.6 t -60.04 -50.28 80.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.955 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -66.99 -32.51 73.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.471 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.559 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.2 t80 -60.01 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 6.9 mt -72.11 -30.5 65.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.293 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.93 -35.44 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 6.3 mmt85 -64.55 -40.22 95.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.594 ' HA ' HH12 ' A' ' 557' ' ' ARG . 2.8 mm-40 -64.08 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.114 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.591 ' HA ' HG23 ' A' ' 563' ' ' THR . . . -78.09 -26.12 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.537 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.538 ' HE2' HG23 ' A' ' 636' ' ' ILE . 13.1 mttm -78.9 -54.99 5.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.362 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 93.0 t -86.46 125.02 68.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.35 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.91 128.1 25.5 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.789 2.326 . . . . 0.0 112.037 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.594 HH12 ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -154.97 -36.64 0.09 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.7 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . 0.454 ' HB3' HG12 ' A' ' 561' ' ' VAL . 12.4 m-30 -84.77 123.96 31.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -12.21 19.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.819 0.342 . . . . 0.0 111.752 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -89.27 -42.18 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.348 0.594 . . . . 0.0 110.058 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' A' ' 558' ' ' TYR . 1.5 p -113.29 119.22 42.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.802 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.64 103.6 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.025 2.483 . . . . 0.0 111.848 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.591 HG23 ' HA ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -102.05 -42.15 6.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.08 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.418 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.66 -48.34 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 581' ' ' ALA . 14.6 p -67.01 -30.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.508 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -70.4 -39.47 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -14.43 61.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.306 0.574 . . . . 0.0 110.079 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -16.85 49.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.914 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -89.86 145.55 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.52 . . . . 0.0 111.263 -179.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.601 ' O ' ' HG2' ' A' ' 573' ' ' GLU . 0.5 OUTLIER -86.07 126.55 64.98 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.715 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.529 ' HD2' HD11 ' A' ' 570' ' ' LEU . 37.2 Cg_endo -67.45 13.61 0.16 Allowed 'Trans proline' 0 C--N 1.335 -0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.504 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 80.8 p -99.84 -16.2 18.13 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.839 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -80.25 -39.63 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.29 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 141.94 -137.79 8.18 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 579' ' ' LEU . 0.2 OUTLIER -126.29 -5.51 6.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.851 0.326 . . . . 0.0 110.581 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -45.02 76.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.528 -178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -36.77 81.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.007 0.432 . . . . 0.0 110.238 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 575' ' ' LEU . 54.2 t80 -59.57 -44.28 93.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.834 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 575' ' ' LEU . 0.4 OUTLIER -66.41 -38.96 88.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.639 178.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.44 -38.11 83.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.703 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 565' ' ' VAL . . . -57.15 -42.97 82.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.541 HG13 ' HB1' ' A' ' 584' ' ' ALA . 25.8 pt -94.01 8.63 5.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.657 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 63.92 39.76 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.377 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.643 ' HB3' ' OH ' ' A' ' 626' ' ' TYR . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.41 89.55 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.25 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -73.87 -22.12 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 584' ' ' ALA . 3.1 m-20 -74.16 -25.33 59.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.01 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -26.43 64.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -33.81 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.528 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 587' ' ' ASP . 1.3 mm? -62.34 -38.07 88.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.533 0.682 . . . . 0.0 109.479 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.448 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 70.3 m-85 -68.11 -42.98 79.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.433 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -56.8 -41.41 77.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.97 93.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.306 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.417 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.2 t30 -81.55 -12.71 58.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.09 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.85 13.97 53.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.321 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.448 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 6.6 mt -94.67 107.79 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -165.4 20.03 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.898 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.63 173.04 9.26 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.549 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.06 128.82 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.871 -179.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.5 -31.85 3.47 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.568 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.62 96.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.181 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.435 ' HB3' HD22 ' A' ' 575' ' ' LEU . 0.0 OUTLIER -66.41 -39.24 88.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.013 0.435 . . . . 0.0 110.565 178.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.428 HD11 ' SD ' ' A' ' 602' ' ' MET . 1.7 mt -67.8 -40.7 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 604' ' ' ARG . 4.2 ttp180 -62.91 -44.82 95.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.004 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -61.17 -36.27 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.297 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 612' ' ' ILE . 20.6 t80 -65.57 -46.81 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.48 -33.63 73.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -75.03 -27.78 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.51 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 5.3 m-70 -120.82 -132.42 0.3 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.954 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.51 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.9 p30 168.63 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.597 ' HA ' ' HH ' ' A' ' 627' ' ' TYR . 31.8 p-10 -110.14 29.26 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.177 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -53.19 -56.12 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.388 -178.742 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -59.34 -40.18 85.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.122 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . 0.516 ' HG2' HD23 ' A' ' 623' ' ' LEU . 3.0 mt-10 -66.67 -36.94 83.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.282 0.563 . . . . 0.0 110.148 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.38 76.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.631 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 38.1 pt -73.5 -22.39 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.33 31.47 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 119.884 -1.15 . . . . 0.0 113.632 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.658 HG22 HD11 ' A' ' 623' ' ' LEU . 19.0 mm -66.94 147.54 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 618' ' ' ILE . 15.4 t70 -63.26 120.44 11.56 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.307 0.575 . . . . 0.0 110.124 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.518 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -66.35 -31.39 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.63 -177.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -64.79 -15.44 61.7 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.112 -0.368 . . . . 0.0 111.777 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -129.64 2.95 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.658 HD11 HG22 ' A' ' 618' ' ' ILE . 11.2 tp -53.17 -37.26 61.74 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.144 0.578 . . . . 0.0 112.436 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.37 91.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.122 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -35.97 79.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.643 ' OH ' ' HB3' ' A' ' 584' ' ' ALA . 1.9 m-85 -62.42 -46.84 86.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.783 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.597 ' HH ' ' HA ' ' A' ' 611' ' ' ASP . 17.9 m-85 -65.84 -34.03 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.617 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.3 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.531 . . . . 0.0 110.359 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.88 78.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -49.32 78.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.405 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.514 HD21 ' CE1' ' A' ' 532' ' ' PHE . 0.2 OUTLIER -64.95 -43.34 93.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.7 m -58.59 -43.83 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.372 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 571' ' ' PRO . 19.0 t80 -61.98 -46.18 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.809 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -63.35 -38.26 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 635' ' ' ARG . 0.0 OUTLIER -60.58 -45.24 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 110.348 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.538 HG23 ' HE2' ' A' ' 554' ' ' LYS . 24.1 mt -63.18 -46.4 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.71 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -43.78 81.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.409 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -35.48 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -69.19 -24.96 64.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.348 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -33.57 75.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.9 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -95.85 -5.81 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.269 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 5.7 tp -71.65 128.16 90.08 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.955 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -91.49 61.01 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 123.155 2.57 . . . . 0.0 112.234 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.469 ' HG2' ' HB ' ' A' ' 543' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.352 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 528' ' ' THR . . . . . 0.44 ' HB ' ' H ' ' B' ' 529' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.809 0.338 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.44 ' H ' ' HB ' ' B' ' 528' ' ' THR . 15.3 p-10 -161.3 -174.33 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.825 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.59 151.15 26.51 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.091 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.2 152.97 44.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.362 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -106.15 136.39 45.93 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.736 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -130.72 143.03 50.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.422 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.82 134.78 34.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.885 0.374 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 542' ' ' TYR . 11.1 tp -119.71 135.93 54.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.53 119.9 32.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.082 0.467 . . . . 0.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -122.17 142.71 50.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.786 -179.64 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 155.56 26.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.639 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -56.97 -40.96 77.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.92 70.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -78.74 -29.24 45.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.53 ' HA ' HD13 ' B' ' 537' ' ' LEU . 90.8 t80 -56.05 -49.64 73.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.91 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.702 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.08 -35.21 74.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -67.87 -41.27 83.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.625 HG13 HG11 ' A' ' 545' ' ' VAL . 92.7 t -69.24 -43.59 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 642' ' ' LEU . 57.3 t -59.73 -50.82 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.975 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -62.26 -38.19 88.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.7 179.62 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -58.36 -47.71 82.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.493 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -72.31 -33.02 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.656 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.9 mmt85 -64.13 -45.42 88.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.452 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -67.81 -33.15 74.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.312 0.577 . . . . 0.0 110.402 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' B' ' 632' ' ' SER . . . -77.22 -38.99 50.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.84 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 51.5 mttt -74.1 -52.22 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.28 111.38 51.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 1.001 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 84.9 Cg_exo -37.41 125.43 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.639 2.893 . . . . 0.0 114.207 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.59 10.02 0.94 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.909 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . 0.582 ' HB3' HG13 ' B' ' 561' ' ' VAL . 72.3 m-85 -135.5 124.42 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.062 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.75 -20.28 16.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -84.45 -40.15 18.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 0.0 110.058 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' B' ' 558' ' ' TYR . 1.5 p -111.11 124.02 33.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.669 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.84 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 36.4 Cg_exo -57.73 108.38 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.16 2.573 . . . . 0.0 112.556 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.76 -43.74 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.789 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 1.001 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 0.9 OUTLIER -56.1 -50.54 70.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.111 -178.259 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.429 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -68.99 -29.62 43.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.5 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.16 -40.82 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.382 -179.025 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.488 ' HB3' HD12 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.9 -14.92 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.384 0.611 . . . . 0.0 110.249 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -18.84 43.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.895 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.612 HG22 ' HB3' ' B' ' 577' ' ' ARG . 23.4 mt -76.07 135.85 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.286 0.565 . . . . 0.0 111.678 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.58 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.6 OUTLIER -86.97 119.81 71.25 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.533 ' O ' ' HB2' ' B' ' 599' ' ' MET . 39.3 Cg_endo -67.79 23.34 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.195 0 C-N-CA 123.038 2.492 . . . . 0.0 112.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.58 ' H ' ' C ' ' B' ' 570' ' ' LEU . 54.6 p -109.37 -16.21 14.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.952 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.45 -51.87 7.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.992 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 149.12 -139.07 7.24 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' B' ' 602' ' ' MET . 0.3 OUTLIER -116.45 -7.02 11.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.833 0.317 . . . . 0.0 110.834 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -45.97 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.002 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.612 ' HB3' HG22 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -65.44 -36.89 85.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.69 0.281 . . . . 0.0 110.251 179.463 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.41 -42.27 98.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.721 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -66.78 -45.53 78.19 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.39 -38.53 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.323 0.582 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.413 ' HB1' HG21 ' B' ' 565' ' ' VAL . . . -56.92 -46.07 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.884 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.84 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 8.8 pt -89.38 7.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 63.13 39.27 10.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' B' ' 579' ' ' LEU . . . -100.43 45.95 0.97 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.684 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.66 59.66 2.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.914 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -170.4 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.629 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.34 -22.23 60.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.809 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.502 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.33 -25.49 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.708 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.618 HG13 ' N ' ' B' ' 590' ' ' LEU . 0.7 OUTLIER -60.71 -33.61 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.159 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.618 ' N ' HG13 ' B' ' 589' ' ' VAL . 1.3 mm? -66.07 -39.41 90.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.788 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.502 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 82.6 m-85 -67.46 -43.9 79.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.446 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -37.41 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.15 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.59 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.349 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -79.48 -12.01 59.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.126 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.02 19.93 34.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.388 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.451 HG23 HD21 ' B' ' 575' ' ' LEU . 6.4 mt -101.15 94.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.564 0.221 . . . . 0.0 111.293 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.74 8.96 2.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 167.39 10.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.388 0.613 . . . . 0.0 112.219 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.533 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.49 144.47 29.53 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.957 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.47 -33.63 2.52 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.518 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.91 -41.44 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.577 ' HG2' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.74 -44.86 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 179.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.62 -40.11 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.023 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.16 94.56 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.409 ' CD ' ' HZ1' ' B' ' 608' ' ' LYS . 0.3 OUTLIER -68.19 -33.7 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.498 ' HA ' ' CD1' ' B' ' 612' ' ' ILE . 55.3 t80 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.249 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -40.85 95.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.409 ' HZ1' ' CD ' ' B' ' 605' ' ' GLU . 4.9 mtmt -77.72 -15.26 59.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 6.5 m-70 -130.81 -136.97 0.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 111.642 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 6.1 p30 171.27 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.662 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 31.6 p-10 -111.13 27.58 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.885 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -53.54 -55.78 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.164 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -59.14 -40.05 84.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.118 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.39 88.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.084 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -41.95 95.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.41 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.511 HD13 HD13 ' B' ' 618' ' ' ILE . 46.1 pt -72.89 -22.23 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.7 28.52 3.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.21 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.636 HG21 HD13 ' B' ' 623' ' ' LEU . 22.9 mm -67.18 146.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 117.217 0.508 . . . . 0.0 110.0 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.427 ' CG ' ' HG ' ' B' ' 621' ' ' SER . 16.7 t70 -66.21 121.5 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.562 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -60.26 -30.47 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' SER . . . . . 0.427 ' HG ' ' CG ' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -66.0 -16.87 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.322 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 22.5 mtpt -122.45 -6.88 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.857 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.636 HD13 HG21 ' B' ' 618' ' ' ILE . 16.3 tp -52.91 -41.96 64.91 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -45.63 90.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -36.22 83.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.475 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 1.9 m-30 -63.26 -47.61 81.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.705 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.662 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 21.1 m-85 -65.07 -35.44 81.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.343 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.017 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . 0.419 ' HD1' ' HA ' ' B' ' 630' ' ' PHE . 0.1 OUTLIER -57.93 -49.02 78.19 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.539 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -44.25 95.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.458 ' HB3' ' HB3' ' B' ' 553' ' ' ALA . 15.5 m -60.34 -46.93 88.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.769 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . 0.537 ' HE2' HD13 ' A' ' 535' ' ' LEU . 19.3 t80 -60.42 -37.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.722 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.736 ' NE ' ' HA ' ' B' ' 635' ' ' ARG . 4.0 mmp_? -73.08 -44.47 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.527 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.587 HG22 ' HE1' ' B' ' 640' ' ' MET . 56.6 mt -60.12 -46.72 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -46.96 81.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.472 -178.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.75 -35.5 70.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.639 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.621 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.22 -26.98 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.95 0.405 . . . . 0.0 111.153 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' MET . . . . . 0.587 ' HE1' HG22 ' B' ' 636' ' ' ILE . 24.5 mtt -69.76 -33.91 73.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.275 0.56 . . . . 0.0 109.889 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -6.01 41.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.113 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.702 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.3 tp -62.24 127.37 89.54 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.907 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.16 44.36 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.123 2.549 . . . . 0.0 110.691 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . 0.611 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.253 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -69.24 -70.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.958 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 627' ' ' TYR . 0.4 OUTLIER -149.36 44.2 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 111.334 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.37 140.1 36.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 36.7 m-85 -88.71 134.35 33.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.108 0.48 . . . . 0.0 111.191 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 533' ' ' ARG . 0.0 OUTLIER -123.42 128.44 49.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.818 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 135.0 49.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.14 0.495 . . . . 0.0 111.312 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.2 tp -125.39 150.54 47.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.516 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.182 0.515 . . . . 0.0 110.276 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 542' ' ' TYR . 0.6 OUTLIER -120.17 140.74 50.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.203 -178.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.439 ' HB2' ' OH ' ' B' ' 530' ' ' TYR . 0.1 OUTLIER -79.95 158.31 26.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.84 87.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.43 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.82 -30.5 64.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 538' ' ' SER . 62.6 t80 -56.55 -51.18 69.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.4 HG23 ' HG ' ' A' ' 642' ' ' LEU . 1.0 OUTLIER -67.48 -34.31 76.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.982 0.42 . . . . 0.0 110.91 -179.426 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.79 89.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.064 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.45 -43.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.795 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.536 ' HB ' HD23 ' A' ' 642' ' ' LEU . 55.6 t -59.78 -49.38 84.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.064 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.59 -33.84 74.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.0 t80 -60.12 -49.93 75.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.735 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 14.3 mt -71.47 -27.76 63.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.44 76.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.109 0.48 . . . . 0.0 109.867 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 19.9 mmt180 -67.71 -41.9 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.975 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.42 -32.7 74.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.529 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.591 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -78.66 -25.71 44.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.891 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -80.03 -45.25 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.132 0.491 . . . . 0.0 111.586 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 2.5 m -103.51 162.1 21.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.378 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 10.4 Cg_endo -58.52 127.08 23.29 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 108.902 -1.23 . . . . 0.0 108.902 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 -20.47 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.82 157.18 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.89 28.75 8.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.272 -178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.489 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.0 t -121.54 122.95 27.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.457 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.598 ' HB2' HG12 ' A' ' 565' ' ' VAL . 2.7 Cg_exo -75.99 79.1 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.052 2.502 . . . . 0.0 111.479 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.591 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.6 OUTLIER -66.85 -34.27 77.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.992 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -49.92 73.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.676 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 562' ' ' PRO . 9.3 p -68.28 -32.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.626 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.515 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.54 -41.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.416 ' HB3' ' CD1' ' A' ' 636' ' ' ILE . 0.3 OUTLIER -71.95 -19.86 61.83 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.428 0.632 . . . . 0.0 109.589 179.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.79 -20.09 47.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.589 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.829 HG22 ' HB3' ' A' ' 577' ' ' ARG . 59.8 mt -74.48 137.6 22.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.18 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.561 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -91.87 117.88 67.97 Favored Pre-proline 0 C--N 1.314 -0.978 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.586 ' O ' ' HB2' ' A' ' 599' ' ' MET . 55.5 Cg_endo -69.15 22.55 0.15 Allowed 'Trans proline' 0 N--CA 1.471 0.166 0 C-N-CA 123.088 2.525 . . . . 0.0 111.915 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' A' ' 570' ' ' LEU . 50.1 p -109.68 -13.27 14.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.221 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -30.58 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.82 -148.31 19.96 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 602' ' ' MET . 0.2 OUTLIER -117.86 -5.01 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 110.384 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -43.24 76.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.431 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.829 ' HB3' HG22 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.98 -37.39 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.96 -43.61 98.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.115 0.484 . . . . 0.0 109.847 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.2 m -64.02 -39.59 94.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.705 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.451 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -57.46 -41.62 80.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.599 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.482 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.7 pt -91.81 5.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.03 39.17 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.646 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.482 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -59.09 -65.4 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.655 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 104.78 -108.8 3.17 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.863 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.09 1.96 54.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.483 ' CG ' ' HH ' ' A' ' 626' ' ' TYR . 4.6 m-20 -63.87 -24.31 67.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -26.0 64.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.555 HG11 ' N ' ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.12 -33.72 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.032 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.555 ' N ' HG11 ' A' ' 589' ' ' VAL . 1.1 mm? -66.17 -39.51 89.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.558 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 70.5 m-85 -68.04 -44.2 76.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.356 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -60.0 -38.42 82.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.211 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.67 88.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.126 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -83.9 -12.0 56.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.243 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 96.13 4.59 59.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.996 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 591' ' ' PHE . 5.8 mt -85.42 81.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -134.33 30.17 3.58 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.113 0.482 . . . . 0.0 110.253 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.82 170.77 13.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.524 0.678 . . . . 0.0 112.597 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.586 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -83.47 135.93 34.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.21 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.6 -25.05 4.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.714 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.93 93.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.677 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.667 ' HB3' HD21 ' A' ' 575' ' ' LEU . 0.0 OUTLIER -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.635 -179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.408 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.8 mt -68.08 -41.44 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.183 0.516 . . . . 0.0 110.036 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.2 OUTLIER -63.26 -46.33 87.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.517 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 13.0 mm-40 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.851 0.358 . . . . 0.0 110.204 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' A' ' 612' ' ' ILE . 9.5 t80 -66.26 -38.8 88.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.016 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.3 -42.42 99.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 604' ' ' ARG . 0.1 OUTLIER -78.61 -28.07 45.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.778 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 11.1 m-70 -116.28 -144.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.663 0.744 . . . . 0.0 112.948 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -176.6 -29.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.324 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -105.43 33.1 3.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.174 -1.375 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -56.38 -63.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.757 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -58.41 -39.61 80.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -41.93 99.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.219 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.9 pt -67.49 -24.31 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.68 29.11 3.47 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.605 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 619' ' ' ASP . 20.2 mm -66.48 146.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.602 ' N ' HG22 ' A' ' 618' ' ' ILE . 10.8 t70 -64.88 132.73 50.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.208 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.516 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -67.86 -28.47 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -12.41 60.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.198 0.523 . . . . 0.0 110.634 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 29.4 mtpt -120.82 -4.44 9.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.275 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.516 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.0 tp -53.87 -45.06 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.345 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -47.68 83.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.614 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -64.28 -37.51 87.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.0 m-85 -64.8 -49.91 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . 0.424 ' HB3' ' CD1' ' A' ' 530' ' ' TYR . 10.2 m-85 -65.7 -32.37 73.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.22 -51.14 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.436 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.11 78.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.384 0.611 . . . . 0.0 110.932 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . 0.407 ' HD1' ' HA ' ' A' ' 630' ' ' PHE . 0.3 OUTLIER -57.37 -48.77 78.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.108 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -38.57 85.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.05 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.03 99.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 110.706 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.422 ' HA ' HD11 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -60.44 -46.08 91.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.26 -37.23 84.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.735 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -59.27 -45.42 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.518 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 633' ' ' PHE . 8.3 mt -64.94 -48.95 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.805 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -58.02 -47.22 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.697 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 0.1 OUTLIER -68.09 -35.76 78.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.652 0.263 . . . . 0.0 111.092 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 110.82 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.71 -30.13 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.37 0.605 . . . . 0.0 109.696 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -5.69 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.759 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.536 HD23 ' HB ' ' A' ' 546' ' ' VAL . 1.6 tp -61.8 130.41 92.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -78.44 37.86 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.976 2.451 . . . . 0.0 112.043 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -59.98 -54.57 44.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.308 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.439 ' OH ' ' HB2' ' A' ' 538' ' ' SER . 4.1 t80 -151.71 111.82 4.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.081 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.9 m -94.04 131.55 39.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.57 145.08 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.261 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -131.89 126.67 34.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.145 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.51 34.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.017 0.437 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -113.29 143.69 44.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 532' ' ' PHE . 0.9 OUTLIER -92.36 128.44 38.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' B' ' 542' ' ' TYR . 0.2 OUTLIER -119.83 125.54 48.8 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.253 -178.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -75.8 157.05 33.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.067 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -50.15 62.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.59 71.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.3 -28.88 65.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.508 ' HA ' HD13 ' B' ' 537' ' ' LEU . 89.3 t80 -55.36 -51.39 66.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.259 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.96 80.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.996 0.427 . . . . 0.0 110.899 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -67.61 -44.69 77.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.78 -43.34 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.383 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.518 ' HB ' HD22 ' B' ' 642' ' ' LEU . 55.3 t -59.91 -50.34 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -67.3 -35.95 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.146 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.562 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.3 t80 -58.84 -50.89 72.3 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.644 0.259 . . . . 0.0 110.959 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.827 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 9.4 mt -71.84 -28.26 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.629 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 12.5 mmt85 -67.1 -42.91 83.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.697 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.9 -39.14 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.741 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.905 ' HA ' HG23 ' B' ' 563' ' ' THR . . . -77.31 -23.51 51.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.358 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 7.3 mttt -77.04 -24.98 52.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.407 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 6.7 m -115.15 158.93 39.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -73.35 124.27 9.31 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 N-CA-C 108.806 -1.267 . . . . 0.0 108.806 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 16.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.466 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -112.15 149.95 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.486 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.6 7.57 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.35 118.17 65.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . 0.781 ' HB2' HG13 ' B' ' 565' ' ' VAL . 56.6 Cg_endo -70.16 83.28 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.16 2.573 . . . . 0.0 111.165 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 563' ' ' THR . . . . . 0.905 HG23 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -68.93 -44.81 72.32 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.743 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -57.84 -50.22 74.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' B' ' 562' ' ' PRO . 7.5 p -69.26 -33.86 60.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.485 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.544 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.0 OUTLIER -67.45 -41.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.456 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.3 p -74.18 -14.2 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.492 0.663 . . . . 0.0 110.166 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.68 -15.61 44.7 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.208 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 565' ' ' VAL . 5.8 mt -80.3 140.73 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.52 HD11 ' HD2' ' B' ' 571' ' ' PRO . 0.3 OUTLIER -92.18 121.9 65.83 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.113 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.52 ' HD2' HD11 ' B' ' 570' ' ' LEU . 61.6 Cg_endo -70.97 21.7 0.21 Allowed 'Trans proline' 0 C--O 1.224 -0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.598 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.489 ' H ' ' C ' ' B' ' 570' ' ' LEU . 46.3 p -108.12 -17.06 14.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.943 0.401 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.29 -39.45 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 152.01 -152.12 23.91 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.28 -12.65 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.917 0.358 . . . . 0.0 110.483 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.45 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.479 HH11 HG22 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.63 -36.74 83.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.69 0.281 . . . . 0.0 110.429 178.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.41 ' HE1' ' HB2' ' B' ' 629' ' ' ALA . 14.8 t80 -64.56 -40.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -43.85 96.02 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.6 m -61.15 -41.39 96.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.878 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.429 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -56.5 -46.27 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.499 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.513 HG13 ' HB1' ' B' ' 584' ' ' ALA . 4.5 pt -85.42 4.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.099 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.92 38.06 24.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.256 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.513 ' HB1' HG13 ' B' ' 582' ' ' ILE . . . -63.28 -62.27 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.41 -110.25 2.68 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.381 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.49 14.81 26.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.523 ' CG ' ' HH ' ' B' ' 626' ' ' TYR . 1.9 m-20 -63.01 -23.92 67.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.212 0.529 . . . . 0.0 109.856 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.52 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.18 -25.25 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.518 178.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.446 HG11 HD23 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.35 -33.83 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.116 179.483 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.446 HD23 HG11 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -66.21 -38.97 89.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.539 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 91.7 m-85 -67.88 -43.24 79.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.258 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.49 80.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.239 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.42 87.37 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.082 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.49 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.9 t30 -80.92 -12.49 59.39 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.076 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.18 15.82 46.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.836 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 3.7 mt -98.08 95.73 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 111.086 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -148.25 15.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.09 174.01 10.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.527 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -79.63 147.76 31.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.373 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.26 -32.66 2.77 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.973 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -45.04 95.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.74 95.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.541 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 2.1 mt -68.29 -40.09 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.024 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -60.28 -46.83 88.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.422 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.602 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -64.34 -34.86 79.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -66.6 -38.81 87.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.387 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 54.5 mt-10 -66.98 -42.47 85.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.702 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -77.28 -26.91 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.149 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.489 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 21.7 m-70 -126.25 -138.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.362 0.601 . . . . 0.0 112.01 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . 0.489 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 13.0 p30 174.27 -21.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.461 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -103.44 23.89 11.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.212 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -52.9 -57.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.27 -40.67 82.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.761 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.864 ' HG3' HD22 ' B' ' 623' ' ' LEU . 0.8 OUTLIER -66.24 -38.97 89.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.29 0.567 . . . . 0.0 110.219 178.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 615' ' ' ARG . 1.7 ttt85 -66.26 -42.78 88.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.566 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.2 pt -70.96 -23.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.1 28.39 3.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.027 -1.083 . . . . 0.0 113.763 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.573 HG23 ' N ' ' B' ' 619' ' ' ASP . 19.4 mm -65.9 146.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.573 ' N ' HG23 ' B' ' 618' ' ' ILE . 6.2 t70 -64.76 127.81 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.495 . . . . 0.0 110.96 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -32.74 69.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.799 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -6.89 49.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.819 0.342 . . . . 0.0 111.665 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.572 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 25.6 mtpt -122.66 -6.97 8.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.864 HD22 ' HG3' ' B' ' 614' ' ' GLU . 8.0 tp -54.52 -46.01 73.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -48.15 83.08 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.488 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.15 -35.87 82.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.089 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.572 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 3.3 m-30 -66.55 -50.14 64.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.413 ' CE2' ' HG ' ' B' ' 623' ' ' LEU . 8.9 m-85 -63.89 -33.94 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.764 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.25 -51.53 68.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.41 ' HB2' ' HE1' ' B' ' 578' ' ' PHE . . . -67.88 -36.01 79.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.692 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -48.74 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.427 HD11 ' HA ' ' B' ' 631' ' ' LEU . 1.7 mm? -64.96 -44.48 89.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.042 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 4.5 m -62.34 -41.77 98.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.307 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' B' ' 636' ' ' ILE . 27.8 t80 -62.27 -44.63 96.1 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.004 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.08 -40.11 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.827 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.3 OUTLIER -60.2 -44.94 94.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 633' ' ' PHE . 22.4 mt -59.92 -47.02 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 109.93 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.511 ' OE1' ' HG3' ' B' ' 571' ' ' PRO . 20.4 tp60 -59.95 -42.83 94.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -36.35 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.346 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.11 -24.52 67.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.47 -32.92 74.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 0.0 109.525 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . 0.429 ' HZ2' ' HG2' ' B' ' 641' ' ' LYS . 0.0 OUTLIER -92.77 -10.29 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.079 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.652 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 5.1 tp -71.2 128.29 90.51 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.388 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.27 58.83 7.18 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.761 2.307 . . . . 0.0 111.292 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.103 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.917 0.389 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . 0.487 ' HB2' HD21 ' A' ' 623' ' ' LEU . 50.8 t30 -121.11 143.39 49.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.056 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 0.2 OUTLIER -88.71 -172.04 3.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.925 0.393 . . . . 0.0 110.494 -179.707 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 129.25 35.43 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.286 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.34 129.53 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.533 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . 0.437 HH11 ' HB3' ' A' ' 533' ' ' ARG . 0.6 OUTLIER -121.7 126.42 48.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.051 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.61 111.57 16.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.372 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.7 tp -101.88 134.87 44.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.36 120.66 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.87 0.367 . . . . 0.0 110.543 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 542' ' ' TYR . 0.3 OUTLIER -121.34 143.99 48.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.962 -179.295 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.427 ' HA ' ' HD1' ' B' ' 532' ' ' PHE . 0.1 OUTLIER -81.19 155.55 26.1 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -39.16 81.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.8 76.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.25 -28.41 38.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.744 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.521 ' HA ' HD13 ' A' ' 537' ' ' LEU . 87.6 t80 -54.67 -46.79 74.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.857 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.536 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.34 -35.68 81.18 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.03 0.443 . . . . 0.0 111.72 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -42.95 94.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 537' ' ' LEU . 38.7 t -71.64 -42.4 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.795 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.495 ' HB ' HD22 ' A' ' 642' ' ' LEU . 43.5 t -60.6 -49.34 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.109 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 1.2 mm-40 -67.14 -33.57 75.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.184 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.55 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -60.11 -49.11 78.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.237 0.542 . . . . 0.0 110.14 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.5 mt -72.06 -26.33 62.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.638 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.37 80.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.7 mmt180 -63.27 -45.28 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.491 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.446 ' HB1' HD12 ' A' ' 636' ' ' ILE . . . -78.27 -21.16 50.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -83.54 -42.44 16.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.482 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.13 127.47 53.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.476 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.729 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 15.4 Cg_endo -56.83 127.33 25.4 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.035 1.823 . . . . 0.0 112.161 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -164.67 21.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.492 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . 0.413 ' HB3' HG13 ' A' ' 561' ' ' VAL . 6.1 m-30 -110.57 161.7 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.988 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.434 ' HB ' ' H ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -65.73 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.434 ' H ' ' HB ' ' A' ' 559' ' ' THR . 0.0 OUTLIER -70.83 -39.89 72.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.481 HG11 ' HG2' ' A' ' 628' ' ' GLU . 1.4 p -76.49 123.52 87.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.824 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.862 ' HB2' HG13 ' A' ' 565' ' ' VAL . 2.9 Cg_exo -75.82 110.56 3.11 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.022 2.481 . . . . 0.0 110.575 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -42.34 70.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.729 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 0.4 OUTLIER -60.37 -47.09 87.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.862 HG13 ' HB2' ' A' ' 562' ' ' PRO . 5.3 p -65.06 -31.6 54.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.541 ' N ' HG11 ' A' ' 565' ' ' VAL . 0.9 OUTLIER -69.68 -41.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -14.75 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.339 0.59 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.52 -19.24 50.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.233 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 577' ' ' ARG . 20.4 mt -74.16 141.37 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.154 0.502 . . . . 0.0 110.643 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.577 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -90.63 117.0 67.65 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.455 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.626 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 38.1 Cg_endo -68.02 20.44 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.056 2.504 . . . . 0.0 112.056 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.577 ' H ' ' C ' ' A' ' 570' ' ' LEU . 77.8 p -108.83 -6.64 15.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.633 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.96 -75.2 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 177.8 -148.19 8.52 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.777 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.426 HD21 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -111.61 2.88 17.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.956 0.407 . . . . 0.0 110.423 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.514 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.55 -45.71 81.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.596 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.93 -36.91 80.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 178.353 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 629' ' ' ALA . 66.3 t80 -60.5 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -40.24 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.401 0.62 . . . . 0.0 109.607 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 68.7 m -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.775 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.482 ' HB3' HG12 ' A' ' 565' ' ' VAL . . . -57.66 -43.0 84.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.153 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.474 HG13 ' HB2' ' A' ' 584' ' ' ALA . 6.8 pt -88.83 3.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.938 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.35 40.69 24.12 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.741 0.651 . . . . 0.0 109.344 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -61.8 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.97 -179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.28 -111.81 3.03 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.381 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.55 19.02 10.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.58 -23.27 58.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.159 0.504 . . . . 0.0 110.345 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.52 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.82 -26.88 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.986 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.17 -33.38 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.474 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.1 mm? -67.78 -37.78 82.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.195 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.52 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 95.7 m-85 -67.84 -41.85 82.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.632 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.9 t-20 -60.29 -40.15 89.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.007 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.09 87.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.978 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.563 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.9 t30 -79.69 -11.26 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.247 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.82 19.16 48.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.106 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 594' ' ' ASN . 9.3 mt -87.98 -105.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.799 -0.2 . . . . 0.0 110.657 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . 0.421 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.8 p90 55.81 -17.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.2 OUTLIER -111.31 173.85 6.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.074 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.401 ' HA ' ' SD ' ' A' ' 602' ' ' MET . 0.0 OUTLIER -79.33 159.86 27.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.11 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.41 -47.96 3.72 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.844 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.2 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.471 0.308 . . . . 0.0 111.427 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.474 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.23 -42.95 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.624 0.25 . . . . 0.0 110.976 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.474 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.8 OUTLIER -68.72 -42.26 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -61.53 -44.23 97.42 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.341 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.478 ' HB3' HG22 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -65.32 -33.81 76.86 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.772 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 609' ' ' HIS . 88.8 t80 -67.91 -36.74 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.668 0.747 . . . . 0.0 109.88 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.58 -45.14 91.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -78.53 -37.35 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.635 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 78.1 m-70 -129.73 141.79 50.82 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.55 12.67 21.33 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -123.68 18.31 9.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.769 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.552 ' O ' ' HG2' ' A' ' 615' ' ' ARG . 0.3 OUTLIER -50.68 -61.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -58.29 -35.33 71.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 0.0 111.357 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.74 -46.43 72.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.032 0.444 . . . . 0.0 111.06 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 612' ' ' ILE . 5.0 ptm85 -71.26 -31.27 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 594' ' ' ASN . 35.1 pt -75.33 -25.3 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.282 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.474 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 106.89 34.31 3.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.12 -1.038 . . . . 0.0 114.107 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.524 HG23 ' N ' ' A' ' 619' ' ' ASP . 18.7 mm -65.7 149.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.524 ' N ' HG23 ' A' ' 618' ' ' ILE . 13.2 t70 -61.09 121.0 11.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.316 0.579 . . . . 0.0 109.576 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -34.37 71.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -12.15 60.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.921 0.391 . . . . 0.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 21.7 mtpt -118.45 -9.41 10.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.578 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 529' ' ' ASN . 13.2 tp -52.87 -40.97 63.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -46.96 86.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.012 0.434 . . . . 0.0 111.876 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.6 79.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.519 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.6 m-85 -64.58 -48.69 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.973 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.95 -33.39 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.481 ' HG2' HG11 ' A' ' 561' ' ' VAL . 2.8 tp10 -61.65 -49.16 77.66 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . 0.6 ' HB3' ' CE1' ' A' ' 578' ' ' PHE . . . -67.62 -35.66 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.82 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -48.37 80.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 1.1 mm? -60.16 -38.45 83.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 635' ' ' ARG . 9.1 m -63.04 -46.05 89.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.335 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.626 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 2.1 t80 -62.98 -38.95 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.35 -40.78 91.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.8 mtp180 -66.95 -46.05 75.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.446 HD12 ' HB1' ' A' ' 553' ' ' ALA . 31.9 mt -65.94 -45.87 89.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.357 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -41.88 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.616 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . 0.521 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 0.0 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.143 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.79 -23.05 67.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.127 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 7.5 mtt -66.41 -39.81 89.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.62 -6.28 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.602 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.707 ' HB2' ' HA ' ' A' ' 639' ' ' ALA . 1.4 tp -65.23 125.1 88.69 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.858 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.78 64.56 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.826 2.35 . . . . 0.0 110.985 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.945 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.229 0.537 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -157.37 157.5 34.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -149.2 128.44 12.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.765 0.317 . . . . 0.0 111.21 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 138.18 49.07 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . 0.427 ' HD1' ' HA ' ' A' ' 538' ' ' SER . 14.9 m-85 -85.64 141.14 30.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.323 0.582 . . . . 0.0 111.257 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -122.34 149.83 43.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.71 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.61 138.61 33.04 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 16.9 tp -124.91 150.69 46.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.728 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 120.05 31.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.171 0.51 . . . . 0.0 109.804 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -120.68 136.25 54.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.233 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -81.87 156.8 24.64 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -43.81 64.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.59 74.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -79.44 -28.93 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.434 ' HA ' HD12 ' B' ' 537' ' ' LEU . 82.8 t80 -56.32 -51.32 68.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.356 -178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.597 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.9 OUTLIER -63.01 -35.17 79.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.26 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . 0.488 ' HE2' HD22 ' A' ' 549' ' ' LEU . 0.5 OUTLIER -65.41 -44.3 87.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.272 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.13 -44.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.215 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.466 ' HB ' HD23 ' B' ' 642' ' ' LEU . 55.0 t -59.7 -49.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.5 mm-40 -68.8 -36.44 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.519 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.3 t80 -57.79 -48.1 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.129 0.49 . . . . 0.0 110.005 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.573 ' HB3' ' NE ' ' B' ' 635' ' ' ARG . 19.8 mt -72.05 -26.77 62.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.181 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.47 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.1 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 8.2 mmt85 -65.45 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.774 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' B' ' 636' ' ' ILE . . . -77.1 -29.53 54.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.801 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -52.22 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.594 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -81.29 125.57 78.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.078 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.4 127.2 23.04 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.03 1.82 . . . . 0.0 111.889 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.72 19.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . 0.429 ' HB3' HG11 ' B' ' 561' ' ' VAL . 4.8 m-85 -98.61 161.43 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.123 0.487 . . . . 0.0 111.813 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -73.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.636 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.62 51.55 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' B' ' 558' ' ' TYR . 1.0 OUTLIER -144.88 126.27 7.77 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.63 70.26 6.97 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.395 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -20.65 60.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -48.03 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.511 ' CG1' ' HB1' ' B' ' 581' ' ' ALA . 13.7 p -75.26 -30.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.0 109.946 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.569 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.1 t -65.83 -39.18 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.639 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 567' ' ' SER . . . . . 0.509 ' HB3' HD11 ' B' ' 636' ' ' ILE . 1.3 p -72.72 -14.34 61.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.234 0.54 . . . . 0.0 110.191 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . 0.486 ' HD2' HG22 ' B' ' 565' ' ' VAL . 0.2 OUTLIER -88.29 -11.07 47.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.832 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.842 HG21 ' HB3' ' B' ' 577' ' ' ARG . 49.6 mt -78.49 145.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.193 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -101.0 120.26 55.83 Favored Pre-proline 0 N--CA 1.436 -1.139 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.615 ' O ' ' HB2' ' B' ' 599' ' ' MET . 11.3 Cg_endo -56.24 -10.43 4.6 Favored 'Trans proline' 0 C--N 1.333 -0.264 0 C-N-CA 122.49 2.126 . . . . 0.0 112.495 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.405 ' H ' ' C ' ' B' ' 570' ' ' LEU . 30.1 p -79.87 -17.39 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.448 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 1.1 mt-10 -86.96 -1.16 57.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 91.43 166.84 40.49 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.133 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' B' ' 602' ' ' MET . 0.2 OUTLIER -72.22 -10.45 59.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -39.41 73.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.613 0.244 . . . . 0.0 110.946 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.842 ' HB3' HG21 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.31 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.172 179.022 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . 0.44 ' HE1' ' HB3' ' B' ' 629' ' ' ALA . 19.1 t80 -64.73 -41.58 95.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.273 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.416 HD13 ' CB ' ' B' ' 584' ' ' ALA . 0.3 OUTLIER -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 73.9 m -61.39 -42.42 98.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.574 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.511 ' HB1' ' CG1' ' B' ' 565' ' ' VAL . . . -56.07 -43.64 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.827 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' B' ' 584' ' ' ALA . 3.6 pt -88.19 5.86 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 61.63 35.57 17.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.052 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' B' ' 587' ' ' ASP . . . -68.81 -55.61 10.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.67 -95.11 1.1 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.051 -0.595 . . . . 0.0 114.245 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -77.55 -13.29 59.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.531 ' HB2' ' HB2' ' B' ' 584' ' ' ALA . 2.6 m-20 -62.75 -25.61 68.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.724 0.297 . . . . 0.0 111.195 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.435 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.8 OUTLIER -60.4 -25.37 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 110.752 178.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.465 HG13 HD21 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -60.98 -33.3 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.465 HD21 HG13 ' B' ' 589' ' ' VAL . 1.2 mm? -64.57 -38.17 90.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.615 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.435 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 73.5 m-85 -68.49 -41.65 79.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.814 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -61.64 -37.22 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.829 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.79 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.145 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.525 ' HB3' HG13 ' B' ' 596' ' ' ILE . 8.2 t30 -79.43 -13.16 59.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.976 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.36 22.5 37.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.06 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.525 HG13 ' HB3' ' B' ' 594' ' ' ASN . 13.0 mt -85.58 -101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 21.4 p90 50.94 -3.32 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' THR . . . . . 0.428 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.07 173.75 6.23 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.615 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 9.6 ttt -80.85 135.67 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.93 -37.3 3.37 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.962 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -45.2 90.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.56 ' HB3' HD21 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.73 -41.34 96.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.476 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.401 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.9 OUTLIER -67.47 -43.48 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.764 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.39 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.781 ' HB3' HG21 ' B' ' 612' ' ' ILE . 43.1 mm-40 -63.1 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.977 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.517 ' HA ' HD12 ' B' ' 612' ' ' ILE . 2.1 t80 -66.1 -38.16 87.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.586 0.708 . . . . 0.0 110.217 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.27 -41.12 97.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -78.3 -38.75 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.915 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -131.25 139.46 49.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -91.67 -6.67 51.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.965 0.412 . . . . 0.0 111.081 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.814 ' HA ' ' HH ' ' B' ' 627' ' ' TYR . 23.7 p-10 -125.77 42.54 3.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.125 0.488 . . . . 0.0 111.663 -178.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' B' ' 605' ' ' GLU . 0.5 OUTLIER -57.04 -56.75 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.704 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.9 m-85 -58.2 -38.9 77.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.616 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -67.76 -36.98 81.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.265 0.555 . . . . 0.0 110.132 178.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -42.68 75.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.507 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.5 pt -72.84 -22.41 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.32 4.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.001 -1.095 . . . . 0.0 114.021 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 21.0 mm -66.69 146.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.21 0.505 . . . . 0.0 109.757 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -64.66 126.47 28.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.027 0.442 . . . . 0.0 110.878 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -38.93 80.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.818 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -5.99 20.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 13.1 mtpt -126.35 -3.02 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.922 0.392 . . . . 0.0 110.845 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.417 HD21 ' HG3' ' B' ' 614' ' ' GLU . 3.7 tp -54.3 -44.63 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -48.15 82.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.445 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.11 -37.36 87.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.669 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.3 m-30 -65.76 -48.83 70.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.814 ' HH ' ' HA ' ' B' ' 611' ' ' ASP . 7.4 m-85 -64.08 -37.36 87.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.756 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -48.53 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.44 ' HB3' ' HE1' ' B' ' 578' ' ' PHE . . . -67.74 -38.38 83.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.496 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -50.0 73.27 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.2 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.536 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 1.1 mm? -64.13 -44.17 93.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.955 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 632' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 49.3 m -59.14 -44.33 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.165 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -61.36 -45.33 94.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.07 -42.23 94.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.573 ' NE ' ' HB3' ' B' ' 549' ' ' LEU . 2.7 mtp180 -60.84 -45.14 95.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' B' ' 567' ' ' SER . 70.5 mt -65.5 -44.61 94.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -41.42 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -34.85 66.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.753 0.311 . . . . 0.0 110.327 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.598 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.93 -26.43 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.73 -38.5 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.599 0.714 . . . . 0.0 109.524 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -9.33 54.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.243 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 3.3 tp -64.55 120.89 69.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.122 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 9.2 Cg_endo -86.58 66.24 4.74 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.191 2.594 . . . . 0.0 110.739 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.534 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.321 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.2 -121.85 0.05 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.742 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.2 p90 -161.55 170.8 19.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.644 0.259 . . . . 0.0 110.307 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.38 135.44 33.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.216 0.531 . . . . 0.0 112.332 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.39 141.67 28.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.419 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -128.34 148.34 50.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.964 0.411 . . . . 0.0 111.44 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.48 98.38 7.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.795 178.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -88.03 142.62 27.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.651 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' THR . . . . . 0.465 HG22 HG21 ' B' ' 534' ' ' THR . 0.2 OUTLIER -91.54 121.6 33.37 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -120.26 133.13 55.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.509 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 87.7 p -84.81 156.4 21.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.514 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.39 -29.9 59.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.011 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.07 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -83.58 -28.16 28.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.339 . . . . 0.0 110.742 179.301 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.469 ' CE1' HD12 ' B' ' 535' ' ' LEU . 77.6 t80 -52.73 -48.43 66.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.704 -177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.44 ' CG2' ' HG ' ' A' ' 642' ' ' LEU . 40.0 p -66.03 -33.44 75.81 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.825 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -43.39 83.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.035 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 541' ' ' GLU . 26.3 t -70.98 -44.78 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 111.808 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.562 ' HB ' HD22 ' A' ' 642' ' ' LEU . 53.7 t -59.96 -48.5 87.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.775 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -67.09 -33.39 75.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.311 -179.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.539 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.1 t80 -61.49 -49.74 75.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.539 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.8 mt -71.02 -30.36 66.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.796 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.29 73.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.447 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.6 mmt180 -63.8 -49.2 73.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.532 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.51 -32.54 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -74.33 -23.56 59.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.52 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . 0.415 ' HA ' ' OG ' ' A' ' 567' ' ' SER . 18.7 mttt -92.78 -47.75 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.981 0.42 . . . . 0.0 110.404 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.22 116.29 59.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.692 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.32 129.34 33.09 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.148 2.565 . . . . 0.0 112.646 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -25.53 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.475 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -148.39 149.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.6 m -89.2 99.98 12.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.071 0.462 . . . . 0.0 110.372 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.558 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 20.2 t90 -165.68 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.211 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.4 p -127.9 128.48 23.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.172 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.645 ' HG2' ' HA ' ' A' ' 582' ' ' ILE . 5.2 Cg_exo -76.14 61.92 6.64 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.881 2.387 . . . . 0.0 111.828 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -73.51 -26.96 61.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.873 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . 0.419 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.46 -44.13 80.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.717 0.294 . . . . 0.0 111.676 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.446 HG12 ' HB1' ' A' ' 581' ' ' ALA . 7.5 p -78.91 -25.38 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.525 ' HA ' ' CD1' ' A' ' 569' ' ' ILE . 1.2 t -69.21 -38.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.142 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' SER . . . . . 0.415 ' OG ' ' HA ' ' A' ' 554' ' ' LYS . 0.2 OUTLIER -71.6 -13.95 61.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.392 0.615 . . . . 0.0 110.343 179.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -19.89 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.996 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.691 HG23 ' HB3' ' A' ' 577' ' ' ARG . 0.2 OUTLIER -90.5 146.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 111.657 -179.416 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.607 ' O ' ' HG3' ' A' ' 573' ' ' GLU . 0.4 OUTLIER -102.34 138.02 19.58 Favored Pre-proline 0 C--N 1.313 -0.999 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.611 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 40.3 Cg_endo -68.91 19.58 0.15 Allowed 'Trans proline' 0 C--N 1.334 -0.23 0 C-N-CA 122.374 2.05 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.659 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 19.1 p -107.71 -11.3 15.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.039 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.2 OUTLIER -97.36 6.15 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.282 0.563 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 101.34 -156.13 19.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 602' ' ' MET . 0.2 OUTLIER -119.14 -11.28 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.788 0.294 . . . . 0.0 110.999 179.464 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -38.62 67.87 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.691 ' HB3' HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.63 -37.63 85.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.708 179.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -63.08 -38.89 93.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.667 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -64.94 -44.8 88.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 23.9 m -61.87 -37.32 84.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.715 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.446 ' HB1' HG12 ' A' ' 565' ' ' VAL . . . -56.36 -45.56 80.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.645 ' HA ' ' HG2' ' A' ' 562' ' ' PRO . 5.2 pt -93.37 5.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 62.82 39.38 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.661 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -117.37 52.51 0.97 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.332 0.587 . . . . 0.0 110.123 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.75 -12.74 67.95 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.477 -0.783 . . . . 0.0 114.664 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.87 -22.35 20.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.893 0.847 . . . . 0.0 110.537 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.615 ' CB ' ' HH ' ' A' ' 626' ' ' TYR . 10.8 m-20 -74.6 -22.9 58.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.632 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' SER . . . . . 0.549 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.75 -25.3 60.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.582 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.61 HG12 HD21 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -59.23 -34.15 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.044 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.61 HD21 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -65.44 -39.32 91.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.728 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.549 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 79.7 m-85 -68.61 -43.83 75.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.518 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -57.86 -44.45 86.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.496 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.9 82.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.567 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.447 ' HB3' HD12 ' A' ' 596' ' ' ILE . 1.4 t-20 -81.36 -12.47 58.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.635 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.12 36.17 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.543 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 594' ' ' ASN . 5.2 mt -104.05 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.752 0.311 . . . . 0.0 110.606 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -150.18 13.15 0.77 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.982 0.42 . . . . 0.0 110.563 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.14 172.45 6.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.659 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.34 136.97 35.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.318 -179.622 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -23.41 2.26 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.613 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.9 OUTLIER -57.81 -45.08 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.08 0.552 . . . . 0.0 111.42 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.509 ' HB2' HD21 ' A' ' 575' ' ' LEU . 25.0 ttp -61.8 -46.05 91.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.632 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.93 -40.02 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.707 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -61.81 -47.22 86.11 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -64.73 -33.9 77.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.0 110.112 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.47 ' HA ' HD11 ' A' ' 612' ' ' ILE . 31.7 t80 -64.73 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.041 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -41.43 97.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -77.75 -27.41 50.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.522 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 74.7 m-70 -119.24 -147.04 0.39 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.969 0.414 . . . . 0.0 111.326 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.7 p-10 -168.45 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.73 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.05 41.0 3.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.988 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.0 OUTLIER -55.2 -52.45 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.363 -179.393 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.56 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.2 m-85 -59.89 -41.99 92.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.145 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.86 92.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.463 0.649 . . . . 0.0 110.295 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -42.47 75.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.92 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.2 pt -67.6 -25.68 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 114.44 32.13 2.03 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.153 -1.022 . . . . 0.0 113.508 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.605 HG21 ' N ' ' A' ' 619' ' ' ASP . 22.0 mm -66.63 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.989 0.395 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.605 ' N ' HG21 ' A' ' 618' ' ' ILE . 0.2 OUTLIER -66.15 128.77 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.356 179.659 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.658 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.99 -23.03 67.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.047 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -18.59 62.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -118.42 -6.03 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.658 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 13.7 tp -54.68 -44.6 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.557 0.536 . . . . 0.0 112.378 -178.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -47.87 82.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.283 0.563 . . . . 0.0 111.502 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -69.37 -33.69 73.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.418 0.627 . . . . 0.0 109.734 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.615 ' HH ' ' CB ' ' A' ' 587' ' ' ASP . 0.2 OUTLIER -59.56 -51.53 69.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.755 -1.112 . . . . 0.0 111.695 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -65.84 -31.85 73.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.59 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.7 -50.16 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.309 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.425 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.1 -50.49 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.737 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . 0.571 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 3.4 mm? -66.7 -40.8 88.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.711 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.441 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 50.8 m -60.94 -39.14 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.931 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.611 ' HE2' ' HB3' ' A' ' 571' ' ' PRO . 28.0 t80 -63.51 -45.92 88.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.46 -38.18 83.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -65.62 -41.75 92.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.54 -47.28 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 109.997 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 637' ' ' GLN . 8.1 tp60 -61.13 -42.93 99.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.161 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.26 -38.55 90.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 642' ' ' LEU . . . -63.24 -27.03 69.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.507 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.8 mmm -68.57 -32.92 73.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.306 0.574 . . . . 0.0 109.717 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -4.94 45.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.949 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.562 HD22 ' HB ' ' A' ' 546' ' ' VAL . 1.2 tp -57.67 123.51 63.17 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.163 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.47 8.49 4.25 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.815 2.343 . . . . 0.0 112.348 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.851 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 121.125 0.488 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -120.57 -160.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.514 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.2 OUTLIER -137.33 149.2 46.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.132 -179.043 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.24 138.83 52.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.24 0.543 . . . . 0.0 110.622 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . 0.551 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 9.1 m-85 -89.24 131.68 35.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.386 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 147.71 51.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 534' ' ' THR . . . . . 0.465 HG21 HG22 ' A' ' 536' ' ' THR . 0.0 OUTLIER -96.13 137.9 34.52 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 120.935 0.398 . . . . 0.0 110.477 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 542' ' ' TYR . 14.9 tp -118.03 143.74 46.17 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.43 120.59 32.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.035 0.445 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.574 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -123.71 126.69 46.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.104 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 538' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -81.97 155.04 25.42 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.237 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.742 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.63 -40.71 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -63.35 -46.67 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -27.64 34.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.441 . . . . 0.0 111.086 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.574 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 67.4 t80 -53.42 -51.44 62.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.37 -177.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.503 ' CG2' ' HG ' ' B' ' 642' ' ' LEU . 24.6 p -64.6 -35.81 82.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.021 0.439 . . . . 0.0 110.733 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -66.72 -44.54 81.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.147 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . 0.565 HG23 HD12 ' B' ' 537' ' ' LEU . 20.9 t -70.4 -45.3 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.525 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.579 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.3 t -59.65 -50.8 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.747 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -68.52 -32.79 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.14 -47.29 83.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.7 mt -72.19 -35.52 68.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.093 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' B' ' 547' ' ' GLU . . . -61.78 -33.34 73.91 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.825 178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.747 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 19.7 mmt85 -65.04 -43.27 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.65 -34.03 76.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.364 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.02 -32.97 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.972 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -74.8 -57.9 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 110.017 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.48 122.11 58.29 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.789 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 18.6 Cg_endo -57.69 127.5 25.52 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.38 2.054 . . . . 0.0 111.622 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -125.93 -10.94 6.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.665 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.47 131.09 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.47 109.55 19.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -174.39 -55.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.057 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.47 133.0 22.82 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.214 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.82 69.18 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.783 2.322 . . . . 0.0 112.028 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -36.92 80.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -56.67 -49.12 76.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.499 -179.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.588 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -69.96 -32.35 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.163 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.499 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 1.4 t -65.01 -42.77 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 1.3 p -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.424 0.63 . . . . 0.0 109.557 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.1 -25.43 62.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.9 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.588 HG13 ' O ' ' B' ' 565' ' ' VAL . 18.5 mt -76.83 130.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.58 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.8 OUTLIER -87.22 122.38 70.96 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 176.375 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' B' ' 570' ' ' LEU . 26.1 Cg_endo -64.61 6.91 0.28 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.067 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.799 ' HA ' ' HB2' ' B' ' 599' ' ' MET . 54.6 p -95.92 -3.63 44.91 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.8 OUTLIER -102.66 2.6 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.364 0.602 . . . . 0.0 109.629 178.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 105.94 -144.18 15.79 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.331 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.442 ' HB3' ' HE2' ' B' ' 602' ' ' MET . 0.1 OUTLIER -126.97 -2.3 6.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.766 0.283 . . . . 0.0 111.206 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -45.02 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.844 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . 0.551 ' HB3' HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.903 179.575 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.0 -47.12 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -61.84 -42.13 98.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.36 0.6 . . . . 0.0 109.578 178.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.0 m -62.52 -39.64 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.2 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' B' ' 565' ' ' VAL . . . -58.37 -41.52 84.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.136 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.524 ' HB ' ' HE3' ' B' ' 625' ' ' LYS . 5.4 pt -95.23 5.27 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt 61.77 42.01 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.639 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.42 ' HB3' HG13 ' B' ' 582' ' ' ILE . . . -120.41 55.71 1.01 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -79.6 24.05 3.32 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.725 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -122.39 -27.32 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.79 0.805 . . . . 0.0 109.681 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . 0.682 ' HB2' ' HH ' ' B' ' 626' ' ' TYR . 3.0 m-20 -74.72 -20.5 59.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.25 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.757 ' HB3' HD22 ' B' ' 579' ' ' LEU . 0.0 OUTLIER -56.33 -25.91 50.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.885 179.739 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.581 HG11 ' N ' ' B' ' 590' ' ' LEU . 1.6 p -58.99 -34.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.119 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.581 ' N ' HG11 ' B' ' 589' ' ' VAL . 1.2 mm? -66.64 -36.6 82.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.065 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 87.3 m-85 -67.44 -42.75 82.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.751 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.36 -35.47 73.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.364 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.79 91.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.33 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' B' ' 596' ' ' ILE . 56.3 t30 -79.76 -11.93 59.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.34 20.59 29.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.23 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.498 HD13 ' HB3' ' B' ' 594' ' ' ASN . 2.9 mt -100.5 90.18 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.64 0.257 . . . . 0.0 110.887 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.61 12.11 2.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.067 0.46 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.37 173.83 8.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.215 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.799 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 3.9 ptt? -80.32 152.71 28.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -41.45 1.81 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -39.46 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.805 0.442 . . . . 0.0 111.85 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.442 ' HE2' ' HB3' ' B' ' 575' ' ' LEU . 3.1 ttm -58.69 -48.85 79.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.319 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . 0.757 HG12 ' HG2' ' B' ' 637' ' ' GLN . 1.1 mp -69.78 -41.91 79.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.384 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -58.55 -42.02 86.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.684 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . 0.787 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -65.06 -33.33 75.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.465 ' HA ' HD13 ' B' ' 612' ' ' ILE . 76.7 t80 -67.31 -39.25 85.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.708 0.289 . . . . 0.0 110.546 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 21.5 mt-10 -72.94 -44.74 60.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.16 0.505 . . . . 0.0 110.49 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -77.4 -29.41 53.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 8.0 m-70 -123.89 -50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 11.2 t-20 77.05 -43.17 0.43 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.211 0.604 . . . . 0.0 111.38 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 14.1 t70 -93.36 33.31 1.24 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.787 HG12 ' HB3' ' B' ' 605' ' ' GLU . 0.4 OUTLIER -60.08 -56.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.984 -178.277 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' B' ' 618' ' ' ILE . 2.1 m-85 -57.96 -41.56 83.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.411 ' HG2' HD13 ' B' ' 623' ' ' LEU . 0.9 OUTLIER -68.2 -36.29 79.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.0 110.049 178.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 1.6 ttt-85 -70.18 -42.35 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.798 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.464 HD13 HD13 ' B' ' 618' ' ' ILE . 34.3 pt -68.27 -26.38 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.32 35.6 2.09 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.623 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.61 HG22 ' N ' ' B' ' 619' ' ' ASP . 23.9 mm -65.88 144.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.61 ' N ' HG22 ' B' ' 618' ' ' ILE . 0.1 OUTLIER -65.24 136.65 56.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 -179.192 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.441 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -64.19 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.015 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -15.95 63.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 111.24 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 5.4 mtmp? -117.02 -10.31 10.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 11.2 tp -54.5 -45.22 73.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -47.95 82.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . 0.524 ' HE3' ' HB ' ' B' ' 582' ' ' ILE . 0.2 OUTLIER -70.28 -34.02 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.429 0.633 . . . . 0.0 109.74 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.682 ' HH ' ' HB2' ' B' ' 587' ' ' ASP . 0.2 OUTLIER -59.72 -52.99 63.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.373 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.16 -32.64 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -50.67 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.18 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.09 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.31 -49.29 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.491 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 3.7 mm? -62.88 -44.87 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 17.4 m -62.5 -37.11 84.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.552 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.484 ' HA ' HD11 ' B' ' 636' ' ' ILE . 0.5 OUTLIER -64.98 -41.52 95.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.886 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.7 -38.16 84.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.378 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' B' ' 633' ' ' PHE . 28.2 mt -65.41 -45.66 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.319 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.757 ' HG2' HG12 ' B' ' 603' ' ' ILE . 9.2 tp60 -57.6 -42.81 83.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.315 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.498 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.9 tp10 -65.14 -35.0 79.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.199 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.51 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -62.96 -28.58 70.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.5 mtt -69.67 -23.28 63.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 109.455 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . 0.502 ' HE3' ' HG3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -95.79 -5.9 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.613 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.579 HD21 ' HB ' ' B' ' 546' ' ' VAL . 0.3 OUTLIER -64.23 119.67 58.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.708 -179.15 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.84 -7.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.839 2.359 . . . . 0.0 111.947 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.565 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.471 0.653 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -119.02 176.72 5.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.185 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' TYR . . . . . 0.623 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.2 OUTLIER -135.85 148.83 48.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.12 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.47 121.57 13.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.939 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.02 128.88 35.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 137.88 53.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.949 0.404 . . . . 0.0 111.264 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 104.63 16.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.943 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -105.07 150.25 25.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.175 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.54 121.95 32.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.348 0.594 . . . . 0.0 109.711 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 542' ' ' TYR . 1.0 OUTLIER -110.2 129.04 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.209 -179.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.637 ' HB2' ' CE1' ' B' ' 530' ' ' TYR . 85.8 p -78.56 157.6 28.74 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -28.09 63.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.35 -48.0 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.62 -27.67 31.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . 0.503 ' HA ' HD13 ' A' ' 537' ' ' LEU . 70.2 t80 -52.89 -50.2 64.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.883 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.763 HG23 ' HG ' ' A' ' 642' ' ' LEU . 2.2 p -66.99 -34.96 78.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.32 0.581 . . . . 0.0 110.76 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.9 -44.4 85.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.24 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' VAL . . . . . 0.4 ' CG2' HD12 ' B' ' 549' ' ' LEU . 54.3 t -71.39 -44.22 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.678 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.529 ' HB ' HD21 ' A' ' 642' ' ' LEU . 52.3 t -59.72 -49.5 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.942 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -65.78 -34.27 77.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.096 -179.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' PHE . . . . . 0.591 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.1 t80 -59.21 -51.53 69.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.182 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.1 mt -72.27 -27.53 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.716 0.293 . . . . 0.0 111.33 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.2 mmt85 -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.434 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 549' ' ' LEU . 2.0 mt-10 -67.94 -32.15 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.275 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -77.86 -38.69 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.75 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -71.37 -55.57 7.72 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.42 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 72.4 t -94.44 118.55 66.97 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 3.5 Cg_endo -46.26 124.19 7.42 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.548 2.165 . . . . 0.0 113.126 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -141.84 6.49 1.81 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.057 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' TYR . . . . . 0.409 ' CD1' HG23 ' A' ' 563' ' ' THR . 23.4 m-85 -115.62 124.73 51.68 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.348 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -21.03 17.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.497 0.665 . . . . 0.0 110.029 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.412 ' HZ3' ' CA ' ' A' ' 625' ' ' LYS . 2.7 t90 -80.24 -45.7 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.761 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 4.3 p -127.24 131.89 24.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.036 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 45.9 Cg_exo -57.46 129.9 36.31 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 111.752 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' THR . . . . . 0.409 HG23 ' CD1' ' A' ' 558' ' ' TYR . 0.0 OUTLIER -120.44 -35.63 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.9 78.34 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 581' ' ' ALA . 14.7 p -67.66 -30.76 49.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.31 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.467 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.2 t -70.7 -40.63 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.44 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -14.14 61.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.405 0.621 . . . . 0.0 110.127 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -10.97 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.59 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . 0.573 HG12 ' HD2' ' A' ' 577' ' ' ARG . 2.7 mt -90.45 145.5 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 572' ' ' THR . 0.9 OUTLIER -94.39 123.52 58.3 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' PRO . . . . . 0.639 ' HB3' ' HE1' ' A' ' 633' ' ' PHE . 33.7 Cg_endo -65.6 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.142 2.562 . . . . 0.0 113.078 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 570' ' ' LEU . 21.8 p -103.34 -8.55 20.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.35 0.595 . . . . 0.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.28 -118.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.648 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.447 ' HA3' ' OE1' ' A' ' 576' ' ' GLU . . . -143.02 159.86 27.47 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.217 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.88 -3.9 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.447 ' OE1' ' HA3' ' A' ' 574' ' ' GLY . 5.7 pm0 -55.62 -40.03 71.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.713 0.292 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' ARG . . . . . 0.573 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.73 -41.26 75.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.007 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -42.73 92.42 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.787 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -60.33 -37.6 81.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.111 0.481 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . 0.429 ' HB3' ' CG1' ' A' ' 565' ' ' VAL . . . -60.02 -35.45 75.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.514 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.564 HG13 ' HB1' ' A' ' 584' ' ' ALA . 7.7 pt -102.38 9.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.417 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 41.37 6.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.564 ' HB1' HG13 ' A' ' 582' ' ' ILE . . . -102.73 54.01 0.78 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.672 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -66.63 -16.41 65.54 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.727 -0.669 . . . . 0.0 114.073 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -111.15 -28.87 8.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.805 0.803 . . . . 0.0 111.743 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 584' ' ' ALA . 2.5 m-20 -64.62 -23.19 67.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.636 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -26.06 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.491 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.69 -33.87 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.45 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' LEU . . . . . 0.441 ' N ' HG13 ' A' ' 589' ' ' VAL . 1.2 mm? -63.55 -37.76 88.56 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.552 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -68.67 -41.39 79.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.404 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.47 -40.86 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.352 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.63 83.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.274 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -81.5 -10.13 59.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.125 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.93 40.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.394 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' ILE . . . . . 0.507 HG23 HD21 ' A' ' 575' ' ' LEU . 15.7 mt -89.78 -97.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 122.156 0.182 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 21.3 p90 54.1 -2.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.528 1.531 . . . . 0.0 115.025 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -110.63 147.71 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.138 0.426 . . . . 0.0 110.526 178.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -81.08 143.09 32.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 96.92 -42.31 2.2 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -39.99 92.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.92 -0.64 . . . . 0.0 109.503 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.95 -34.48 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.485 178.638 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.434 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -67.92 -39.87 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -44.18 91.52 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.849 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' GLU . . . . . 0.633 ' HB3' HG22 ' A' ' 612' ' ' ILE . 13.2 mm-40 -65.74 -33.91 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.02 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' PHE . . . . . 0.488 ' HA ' HD11 ' A' ' 612' ' ' ILE . 47.0 t80 -66.81 -38.04 85.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.125 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.38 -42.93 74.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.65 -36.91 65.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.483 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' HIS . . . . . 0.505 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 52.4 m-70 -118.37 -138.18 0.35 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.505 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 2.6 p30 -173.11 -32.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 615' ' ' ARG . 2.5 t0 -105.56 39.36 1.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.272 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 605' ' ' GLU . 0.9 OUTLIER -54.68 -55.13 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.316 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.1 m-85 -58.43 -44.49 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.69 84.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.19 0.519 . . . . 0.0 110.306 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 611' ' ' ASP . 0.2 OUTLIER -66.32 -43.04 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.306 -179.507 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.437 HD13 HD12 ' A' ' 618' ' ' ILE . 40.8 pt -71.86 -23.62 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.27 30.64 2.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.112 -1.042 . . . . 0.0 113.747 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.511 HG23 ' N ' ' A' ' 619' ' ' ASP . 24.1 mm -68.77 145.69 13.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 116.969 0.385 . . . . 0.0 110.212 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.511 ' N ' HG23 ' A' ' 618' ' ' ILE . 21.0 t70 -65.32 130.56 43.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 111.146 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.744 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -68.58 -30.96 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -13.97 60.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.721 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.73 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 31.1 mtmt -127.88 3.17 5.98 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' LEU . . . . . 0.744 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.4 tp -53.85 -44.75 70.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.002 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -46.99 87.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.98 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -63.91 -37.58 87.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.254 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' TYR . . . . . 0.449 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 2.8 m-85 -67.18 -48.72 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.097 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -65.33 -35.27 80.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.87 -49.0 79.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.347 0.594 . . . . 0.0 110.611 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.81 -35.28 78.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.903 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -49.93 75.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.412 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.13 -43.89 97.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 111.152 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 19.2 m -63.04 -37.6 87.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.41 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' PHE . . . . . 0.639 ' HE1' ' HB3' ' A' ' 571' ' ' PRO . 15.6 t80 -65.47 -45.08 85.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.96 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.16 -38.33 82.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.595 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.52 -41.01 98.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 633' ' ' PHE . 53.2 mt -63.38 -48.67 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -41.62 89.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.579 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.81 -41.19 87.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.504 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.98 -26.77 68.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.566 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -35.5 74.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.798 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -4.8 43.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.763 ' HG ' HG23 ' A' ' 543' ' ' THR . 2.8 tp -56.42 119.88 31.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.615 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' PRO . . . . . 0.459 ' HB2' ' H ' ' A' ' 644' ' ' LYS . 54.1 Cg_endo -95.99 -133.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 123.62 2.88 . . . . 0.0 110.901 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' LYS . . . . . 0.459 ' H ' ' HB2' ' A' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.102 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.051 0.453 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.522 ' HB3' HD21 ' B' ' 623' ' ' LEU . 1.1 p-10 -74.44 171.31 13.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.99 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 530' ' ' TYR . . . . . 0.637 ' CE1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER -141.06 159.97 41.07 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.08 -178.818 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 133.7 51.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.145 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.08 131.98 34.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.43 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -109.79 128.38 55.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.734 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.41 111.86 17.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 17.5 tp -100.84 139.75 36.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.91 120.9 33.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.301 0.572 . . . . 0.0 111.091 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 537' ' ' LEU . . . . . 0.446 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -121.92 124.42 44.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.496 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.6 156.05 25.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 539' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -50.46 -44.85 55.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.38 89.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.48 -29.65 30.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.938 0.399 . . . . 0.0 111.469 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 542' ' ' TYR . . . . . 0.446 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 76.9 t80 -54.21 -52.51 61.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 543' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' B' ' 547' ' ' GLU . 29.8 p -62.99 -37.2 86.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.916 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.88 -44.71 80.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 97.9 t -70.79 -43.93 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.382 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' VAL . . . . . 0.529 ' HB ' HD21 ' B' ' 642' ' ' LEU . 54.1 t -59.94 -49.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.998 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 547' ' ' GLU . . . . . 0.75 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.22 -36.48 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.551 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 548' ' ' PHE . . . . . 0.49 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -58.3 -47.13 84.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.781 -179.309 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 549' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 16.2 mt -71.22 -29.91 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 550' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' B' ' 636' ' ' ILE . . . -68.79 -35.23 76.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.628 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 551' ' ' ARG . . . . . 0.75 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt85 -66.96 -42.82 84.53 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.262 0.553 . . . . 0.0 109.67 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 552' ' ' GLU . . . . . 0.473 ' OE2' ' HD3' ' B' ' 557' ' ' ARG . 0.1 OUTLIER -62.88 -43.25 99.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.011 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.413 ' CB ' HD12 ' B' ' 636' ' ' ILE . . . -77.68 -17.93 57.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.994 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -80.44 -52.12 8.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.102 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 4.1 m -85.28 155.54 60.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.991 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -65.4 124.1 12.41 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 108.92 -1.223 . . . . 0.0 108.92 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 557' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' B' ' 552' ' ' GLU . 1.5 ttt180 -167.0 23.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.347 0.594 . . . . 0.0 110.038 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -142.66 132.45 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.774 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -27.92 9.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.033 0.444 . . . . 0.0 111.056 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 560' ' ' TRP . . . . . 0.748 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 22.7 t90 -78.73 -39.9 35.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.626 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -118.64 127.49 26.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.78 63.46 8.74 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.763 2.309 . . . . 0.0 112.468 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -19.37 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -58.52 -40.2 82.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.803 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.438 HG13 ' HB1' ' B' ' 581' ' ' ALA . 8.0 p -81.4 -21.36 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 566' ' ' VAL . . . . . 0.52 ' HA ' HD11 ' B' ' 569' ' ' ILE . 1.2 t -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.976 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -14.08 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.235 0.541 . . . . 0.0 110.502 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -19.23 53.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 569' ' ' ILE . . . . . 0.52 HD11 ' HA ' ' B' ' 566' ' ' VAL . 1.6 mt -82.47 145.49 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.315 0.578 . . . . 0.0 111.326 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 570' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 572' ' ' THR . 0.8 OUTLIER -93.81 126.97 47.43 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.852 178.008 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 571' ' ' PRO . . . . . 0.794 ' HA ' ' HG3' ' B' ' 599' ' ' MET . 44.3 Cg_endo -69.97 15.82 0.24 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.922 2.414 . . . . 0.0 112.044 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 572' ' ' THR . . . . . 0.52 ' H ' ' C ' ' B' ' 570' ' ' LEU . 81.3 p -102.51 -4.79 24.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.142 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -104.29 -130.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.442 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 574' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' B' ' 599' ' ' MET . . . -115.57 -153.83 10.36 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.619 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 575' ' ' LEU . . . . . 0.494 HD23 ' SD ' ' B' ' 602' ' ' MET . 0.0 OUTLIER -115.54 -2.33 12.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.978 0.418 . . . . 0.0 110.322 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.35 -42.69 74.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -37.36 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.23 -44.98 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.474 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 579' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.32 -44.15 88.75 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.402 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 37.6 m -60.57 -37.16 80.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.168 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 581' ' ' ALA . . . . . 0.438 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.94 -43.14 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.492 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 582' ' ' ILE . . . . . 0.55 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.4 pt -94.58 9.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.22 40.91 14.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.24 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 584' ' ' ALA . . . . . 0.618 ' HB1' ' OH ' ' B' ' 626' ' ' TYR . . . -97.82 49.89 1.03 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.839 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.25 62.63 2.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 179.32 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.409 0.624 . . . . 0.0 109.525 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -65.17 -24.69 67.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.051 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 588' ' ' SER . . . . . 0.544 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -25.9 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 589' ' ' VAL . . . . . 0.617 HG13 ' N ' ' B' ' 590' ' ' LEU . 0.8 OUTLIER -62.18 -33.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.369 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 590' ' ' LEU . . . . . 0.617 ' N ' HG13 ' B' ' 589' ' ' VAL . 1.2 mm? -65.39 -38.82 91.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.566 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 591' ' ' PHE . . . . . 0.544 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 85.0 m-85 -67.99 -41.53 82.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.159 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 592' ' ' ASN . . . . . 0.422 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 5.5 t-20 -62.46 -40.49 96.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.279 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.46 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.842 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.31 -11.77 59.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.349 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 88.43 17.5 56.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.639 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 596' ' ' ILE . . . . . 0.472 HG22 HD22 ' B' ' 575' ' ' LEU . 17.4 mt -81.73 -95.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 597' ' ' TYR . . . . . 0.422 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 40.7 p90 52.15 -5.34 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 598' ' ' THR . . . . . 0.469 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.09 147.65 36.86 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.662 -0.649 . . . . 0.0 110.41 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 599' ' ' MET . . . . . 0.794 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.44 150.92 28.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 94.97 -46.41 2.06 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.27 -35.98 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.366 0.603 . . . . 0.0 109.426 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' MET . . . . . 0.494 ' SD ' HD23 ' B' ' 575' ' ' LEU . 3.3 ttp -62.56 -39.26 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -41.36 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.362 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -62.52 -43.32 99.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.653 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.79 -36.11 82.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.125 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' B' ' 612' ' ' ILE . 35.3 t80 -65.85 -41.15 92.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.31 -42.58 88.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.718 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -76.22 -30.48 57.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.465 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 41.8 m-70 -117.55 -138.27 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' ASN . . . . . 0.465 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 1.2 p30 175.23 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -102.91 34.21 2.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.553 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -57.63 -61.28 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.124 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.75 -41.67 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.366 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.497 ' HG2' HD22 ' B' ' 623' ' ' LEU . 1.5 mm-40 -66.85 -37.05 83.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.272 0.558 . . . . 0.0 110.27 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.39 -42.27 92.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.19 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' ILE . . . . . 0.51 HD12 HD11 ' B' ' 618' ' ' ILE . 38.3 pt -73.07 -23.72 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.794 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.25 3.87 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.836 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' ILE . . . . . 0.617 HG21 HD12 ' B' ' 623' ' ' LEU . 22.8 mm -66.44 146.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.596 ' N ' HG22 ' B' ' 618' ' ' ILE . 8.6 t0 -64.66 120.31 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.742 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.5 m -71.24 -14.99 62.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.685 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.8 -18.69 61.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.863 -0.523 . . . . 0.0 110.398 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' LYS . . . . . 0.548 ' HE2' ' HB3' ' B' ' 619' ' ' ASP . 15.8 mtmt -128.38 2.6 5.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' LEU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 13.4 tp -53.01 -36.96 61.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.396 0.678 . . . . 0.0 112.608 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 624' ' ' SER . . . . . 0.748 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -59.02 -47.39 85.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.947 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.92 82.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 626' ' ' TYR . . . . . 0.618 ' OH ' ' HB1' ' B' ' 584' ' ' ALA . 2.1 m-85 -61.78 -47.43 85.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.699 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 627' ' ' TYR . . . . . 0.479 ' O ' HD23 ' B' ' 631' ' ' LEU . 7.3 m-85 -65.03 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.297 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.86 -48.77 80.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 109.716 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.56 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.435 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 630' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 602' ' ' MET . 1.3 t80 -58.94 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 631' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.2 mm? -64.24 -44.15 92.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -60.55 -42.38 96.43 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 633' ' ' PHE . . . . . 0.486 ' HE1' ' HB3' ' B' ' 571' ' ' PRO . 14.4 t80 -63.5 -37.83 88.82 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.202 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -60.08 -41.72 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.369 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 27.3 mmt180 -66.55 -46.22 76.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' ILE . . . . . 0.49 ' O ' ' HG3' ' B' ' 640' ' ' MET . 77.0 mt -60.83 -45.56 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.34 -46.26 86.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.834 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -65.78 -39.99 91.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.518 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.62 -27.09 68.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.309 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 21.1 mtt -67.5 -33.28 74.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.271 0.558 . . . . 0.0 109.835 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -4.88 42.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.288 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' LEU . . . . . 0.529 HD21 ' HB ' ' B' ' 546' ' ' VAL . 1.4 tp -53.01 114.72 6.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.731 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -94.48 -144.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.294 2.663 . . . . 0.0 111.26 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.592 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' B' ' 538' ' ' SER . 19.7 t80 . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 146.62 30.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.611 ' HE2' HD21 ' A' ' 631' ' ' LEU . 9.7 m-85 -110.05 142.62 41.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.021 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -126.16 126.27 43.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.022 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.69 111.76 17.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.653 HD13 ' HE1' ' B' ' 542' ' ' TYR . 11.8 tp -96.95 150.78 20.37 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.782 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.64 119.18 30.67 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.541 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 2.0 mm? -118.3 113.27 21.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.46 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' B' ' 532' ' ' PHE . 0.0 OUTLIER -71.55 157.4 38.07 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.14 -47.41 17.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' ALA . . . . . 0.403 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . . . -69.87 -44.59 69.51 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.97 -31.75 64.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.378 0.609 . . . . 0.0 110.206 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.599 ' CE1' HD13 ' B' ' 535' ' ' LEU . 65.3 t80 -58.16 -50.9 71.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.536 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.814 HG22 ' HG ' ' A' ' 642' ' ' LEU . 4.5 p -66.9 -33.34 75.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -61.95 -46.2 90.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.81 -43.87 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.408 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 542' ' ' TYR . 47.6 t -59.51 -47.72 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.91 -36.37 77.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.251 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.6 t80 -58.98 -50.89 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.058 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.6 mt -71.71 -28.8 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.202 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.31 86.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 10.9 mmt85 -67.72 -37.31 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.703 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.413 ' HB3' ' HE1' ' A' ' 558' ' ' TYR . 3.2 mm-40 -66.25 -39.66 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.459 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.14 -34.52 49.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.872 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.22 -54.7 21.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.5 122.32 59.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 564' ' ' GLN . 9.7 Cg_endo -52.76 126.01 19.83 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.36 2.04 . . . . 0.0 112.811 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -152.13 14.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.598 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' TYR . . . . . 0.413 ' HE1' ' HB3' ' A' ' 552' ' ' GLU . 50.3 m-85 -130.54 123.44 29.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.642 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -20.67 16.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.297 0.57 . . . . 0.0 109.783 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.431 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 6.5 t90 -69.08 -39.49 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.067 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.22 122.14 14.8 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.915 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.73 87.27 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.783 2.322 . . . . 0.0 112.165 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -24.49 35.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.322 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 556' ' ' PRO . 5.9 pm0 -57.4 -40.59 78.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 569' ' ' ILE . 13.2 p -77.69 -30.26 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.694 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.04 -42.3 91.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.546 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -14.7 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -20.35 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.69 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 566' ' ' VAL . 9.6 mt -77.02 134.44 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.285 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.601 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -88.81 119.19 69.9 Favored Pre-proline 0 N--CA 1.434 -1.237 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 176.519 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.601 ' HD2' HD13 ' A' ' 570' ' ' LEU . 17.9 Cg_endo -60.08 -3.02 2.0 Allowed 'Trans proline' 0 CA--C 1.521 -0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.31 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 570' ' ' LEU . 71.2 p -81.12 -17.3 50.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.336 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -27.01 25.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.616 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.91 -134.26 7.94 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -129.95 0.77 4.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.605 0.241 . . . . 0.0 110.572 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -46.35 75.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.408 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.23 -36.75 77.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.689 0.28 . . . . 0.0 110.47 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.87 -43.71 94.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -67.49 -40.57 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 32.8 m -60.86 -37.87 83.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.07 68.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.77 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.1 pt -103.27 5.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.503 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 583' ' ' LYS . 0.4 OUTLIER 65.58 43.36 3.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.302 0.572 . . . . 0.0 111.172 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.6 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.25 51.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -65.38 -18.66 65.66 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -31.93 9.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.45 0.625 . . . . 0.0 111.169 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.453 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 4.6 m-20 -70.72 -24.41 62.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.398 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.524 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.39 -25.85 64.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.972 0.415 . . . . 0.0 111.007 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -61.84 -33.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.204 -179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -63.4 -37.14 86.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.051 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 618' ' ' ILE . 57.1 m-85 -68.14 -44.75 75.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -38.76 81.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.222 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.95 92.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.31 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -84.59 -6.58 59.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.771 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.27 21.41 41.58 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.52 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 575' ' ' LEU . 6.1 mt -99.71 98.55 7.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.892 0.377 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.59 19.87 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.13 11.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.278 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 11.1 ttt -80.22 137.73 36.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.322 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.75 -36.28 3.7 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.248 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -45.12 95.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -42.89 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.0 OUTLIER -68.85 -41.65 82.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.065 0.46 . . . . 0.0 109.994 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 -61.85 -45.26 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.808 ' HB3' HG12 ' A' ' 612' ' ' ILE . 3.8 mm-40 -62.18 -34.09 75.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.281 0.562 . . . . 0.0 110.173 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.904 ' HA ' HD11 ' A' ' 612' ' ' ILE . 85.4 t80 -69.28 -38.48 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.576 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 24.5 mt-10 -74.17 -36.44 64.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.259 0.552 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.67 -40.59 48.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.944 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -124.04 -54.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 85.27 -30.74 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.092 0.87 . . . . 0.0 110.15 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -94.0 28.19 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.904 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.7 OUTLIER -51.24 -52.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.899 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 591' ' ' PHE . 2.5 m-85 -57.83 -43.88 86.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.949 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -35.8 80.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.294 0.569 . . . . 0.0 110.312 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -43.47 70.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.712 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.6 pt -72.36 -22.84 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.07 30.9 3.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.881 -1.152 . . . . 0.0 113.716 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.0 mm -67.74 146.14 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 622' ' ' LYS . 3.3 t70 -65.28 123.63 20.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.146 0.498 . . . . 0.0 110.98 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.713 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.09 -24.13 66.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.261 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.331 . . . . 0.0 111.428 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' A' ' 622' ' ' LYS . 20.8 mtmm -129.47 11.52 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.231 0.539 . . . . 0.0 109.86 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.713 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.2 tp -54.67 -42.79 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -48.53 81.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.903 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.431 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 1.0 OUTLIER -63.14 -38.64 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.365 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.409 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 3.4 m-85 -65.15 -48.98 71.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.452 ' O ' HD23 ' A' ' 631' ' ' LEU . 9.0 m-85 -65.3 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.779 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.6 -50.23 70.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.03 80.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.472 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.753 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.238 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.612 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 1.4 mm? -64.85 -44.07 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.025 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -38.69 92.19 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.694 ' HD1' HG13 ' A' ' 566' ' ' VAL . 4.8 t80 -61.87 -45.86 91.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.94 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -61.41 -41.69 97.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.777 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 4.2 mmt85 -62.5 -45.37 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' A' ' 553' ' ' ALA . 70.8 mt -61.37 -46.56 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.093 0.473 . . . . 0.0 110.356 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.418 ' NE2' ' HE3' ' A' ' 641' ' ' LYS . 10.7 tm0? -57.54 -46.46 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.939 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.6 -35.88 75.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.15 -28.6 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.687 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -29.47 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 109.924 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 641' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -96.02 -6.6 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.72 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.814 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -66.0 121.64 77.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.993 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.8 Cg_exo . . . . . 0 N--CA 1.462 -0.337 0 C-N-CA 122.862 2.374 . . . . 0.0 111.506 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.647 ' CE2' ' HB3' ' B' ' 627' ' ' TYR . 1.5 t80 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 120.934 0.397 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 155.9 32.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.79 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 37.7 m-85 -100.47 139.73 35.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.541 0.686 . . . . 0.0 112.249 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.98 128.31 48.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.572 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 121.77 19.85 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.094 0.473 . . . . 0.0 111.453 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.7 tp -115.84 136.9 52.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.231 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.68 34.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.321 0.581 . . . . 0.0 110.108 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 545' ' ' VAL . 1.9 mm? -114.11 127.64 56.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.448 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.612 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -74.58 158.87 32.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.384 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -47.56 67.78 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.83 67.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 111.807 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.433 ' OE2' HD22 ' A' ' 549' ' ' LEU . 1.2 mm-40 -66.96 -33.55 75.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.181 0.515 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.653 ' HE1' HD13 ' A' ' 535' ' ' LEU . 86.9 t80 -57.22 -52.34 65.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.984 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.669 ' HA ' HD21 ' B' ' 642' ' ' LEU . 1.4 p -66.37 -34.78 78.73 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 544' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' B' ' 541' ' ' GLU . 7.5 ttpt -65.16 -44.6 88.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.268 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 537' ' ' LEU . 37.8 t -70.15 -44.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.5 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.0 t -59.44 -47.42 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.205 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.707 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -68.63 -35.81 77.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.207 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.515 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.91 -51.03 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.111 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' B' ' 635' ' ' ARG . 11.1 mt -67.36 -30.23 69.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 0.0 110.598 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.44 77.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.033 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 17.0 mmt85 -68.83 -44.35 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.233 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.84 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.36 -18.81 57.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.994 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.12 -71.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.475 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.4 t -76.16 125.9 87.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.76 124.66 14.02 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.327 2.018 . . . . 0.0 112.595 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 557' ' ' ARG . . . . . 0.627 ' HG3' ' HD1' ' B' ' 558' ' ' TYR . 0.0 OUTLIER -147.59 -3.2 0.55 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.588 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 558' ' ' TYR . . . . . 0.627 ' HD1' ' HG3' ' B' ' 557' ' ' ARG . 1.7 m-85 -122.23 146.47 47.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -18.06 11.79 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.616 ' CZ3' ' HA ' ' B' ' 625' ' ' LYS . 9.8 t90 -70.59 -46.25 63.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.847 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.553 HG13 ' CE3' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -124.39 134.81 25.82 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.975 178.59 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' B' ' 582' ' ' ILE . 6.3 Cg_exo -79.67 60.74 7.94 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.816 2.344 . . . . 0.0 111.427 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 563' ' ' THR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -70.83 -23.17 62.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.461 ' HG2' ' N ' ' B' ' 565' ' ' VAL . 18.7 pm0 -59.16 -35.66 73.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.56 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.3 p -87.01 -25.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -64.96 -38.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.667 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.64 -14.9 62.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.38 0.61 . . . . 0.0 110.141 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -91.56 -17.09 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.498 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' B' ' 566' ' ' VAL . 82.8 mt -74.35 136.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.883 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 570' ' ' LEU . 0.2 OUTLIER -89.97 114.07 59.46 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.507 ' HD2' HD13 ' B' ' 570' ' ' LEU . 24.3 Cg_endo -63.03 3.76 0.5 Allowed 'Trans proline' 0 C--O 1.226 -0.112 0 C-N-CA 122.589 2.193 . . . . 0.0 112.011 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.493 ' H ' ' C ' ' B' ' 570' ' ' LEU . 82.4 p -89.99 -17.5 27.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.306 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 573' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 2.5 mt-10 -79.71 -17.7 52.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.495 0.664 . . . . 0.0 109.928 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.18 -136.0 10.62 Favored Glycine 0 N--CA 1.437 -1.296 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.558 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -124.26 -5.28 7.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.93 0.365 . . . . 0.0 110.592 179.393 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 576' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -58.95 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.575 -178.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.678 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -61.87 -37.61 85.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.334 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.08 -43.13 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.713 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.1 OUTLIER -65.44 -41.64 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 22.8 m -59.99 -38.56 82.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.98 76.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.82 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.461 HG22 ' HD2' ' B' ' 562' ' ' PRO . 20.3 pt -96.91 6.21 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.631 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.83 41.51 4.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.855 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -94.8 49.75 1.26 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.72 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.6 -11.09 64.86 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.412 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.64 -32.02 8.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.212 0.53 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.18 -23.18 59.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.53 -26.06 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.701 179.293 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.527 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.91 -34.11 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.411 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.527 HD22 HG12 ' B' ' 589' ' ' VAL . 1.4 mm? -64.66 -36.53 84.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.975 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 62.6 m-85 -68.24 -45.26 73.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.629 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.07 -39.6 86.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.005 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.92 87.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.118 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.454 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.7 t-20 -81.78 -12.2 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.295 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.04 18.5 36.79 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.558 HG22 ' CD2' ' B' ' 575' ' ' LEU . 5.2 mt -98.91 100.61 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.687 0.28 . . . . 0.0 110.869 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.16 16.5 0.64 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.053 0.454 . . . . 0.0 110.773 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.49 172.45 7.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.293 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 5.0 ptt? -80.96 141.45 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.095 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.55 -30.44 2.23 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.42 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 601' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' B' ' 605' ' ' GLU . 4.5 t70 -58.72 -44.93 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -45.18 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.588 0.232 . . . . 0.0 110.91 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.436 HG21 HE22 ' B' ' 637' ' ' GLN . 0.7 OUTLIER -68.85 -40.6 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.527 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -65.8 -40.44 91.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -65.08 -33.97 77.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.698 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.76 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.3 t80 -66.36 -38.36 87.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.415 0.626 . . . . 0.0 109.832 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.7 -42.65 73.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -76.51 -38.47 55.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.617 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -110.78 -57.14 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 84.71 -28.06 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 124.092 0.87 . . . . 0.0 110.833 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -105.58 32.37 4.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.609 0.718 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -55.09 -59.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.124 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.531 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.4 m-85 -57.8 -39.12 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.146 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.55 -41.68 92.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.211 0.529 . . . . 0.0 110.374 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -70.55 -43.34 69.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.6 pt -67.99 -26.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.745 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.62 31.98 2.62 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.002 -1.094 . . . . 0.0 114.06 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.6 mm -66.81 145.5 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.557 ' OD2' ' HG3' ' B' ' 622' ' ' LYS . 1.2 t70 -64.82 121.3 14.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.089 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.605 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -63.6 -22.47 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.3 m -71.63 -18.91 62.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.102 0.477 . . . . 0.0 110.716 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.557 ' HG3' ' OD2' ' B' ' 619' ' ' ASP . 28.7 mtmm -124.0 0.97 8.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.8 tp -53.83 -44.12 70.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.613 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.588 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -60.67 -47.16 87.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.643 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.616 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.819 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.449 ' CD1' HD12 ' B' ' 582' ' ' ILE . 3.1 m-85 -59.95 -51.0 71.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 627' ' ' TYR . . . . . 0.647 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 5.9 m-85 -65.46 -34.29 77.93 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.851 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.582 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 29.4 tp10 -61.31 -50.9 71.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.177 0.513 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 629' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' B' ' 633' ' ' PHE . . . -65.57 -37.92 88.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.698 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.65 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.0 OUTLIER -60.97 -49.05 79.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.437 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.79 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 2.8 mm? -66.02 -46.59 77.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 68.8 m -61.61 -36.85 81.89 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.335 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 629' ' ' ALA . 0.6 OUTLIER -62.42 -46.38 88.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.198 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.92 -39.42 89.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.751 ' HD2' HD13 ' B' ' 549' ' ' LEU . 3.5 mmt85 -61.03 -44.4 97.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.059 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' B' ' 567' ' ' SER . 52.0 mt -62.78 -46.6 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.923 0.392 . . . . 0.0 110.506 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.436 HE22 HG21 ' B' ' 603' ' ' ILE . 8.2 tt0 -57.79 -46.83 84.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.315 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -38.38 82.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.47 -24.03 64.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.192 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 22.6 mtt -63.44 -36.58 84.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.267 0.556 . . . . 0.0 109.627 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -95.71 -11.17 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' B' ' 543' ' ' THR . 2.4 tp -73.2 122.18 87.0 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.637 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 643' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 3.9 Cg_exo -76.1 -83.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.023 2.482 . . . . 0.0 110.881 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.523 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 120.903 0.382 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.99 152.37 31.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.425 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.64 ' HE2' HD21 ' A' ' 631' ' ' LEU . 39.3 m-85 -114.38 137.12 52.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 131.9 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.132 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 116.24 20.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.773 HD13 ' HE1' ' B' ' 542' ' ' TYR . 21.6 tp -102.02 142.19 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.856 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.76 122.16 34.06 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.062 0.458 . . . . 0.0 110.176 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -115.7 132.56 56.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -178.631 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 96.5 p -81.17 155.96 25.93 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.64 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -57.9 -28.04 63.87 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.026 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.23 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -82.67 -28.31 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.346 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.54 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 52.6 t80 -52.96 -50.81 63.32 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.771 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.662 ' HA ' HD21 ' A' ' 642' ' ' LEU . 2.3 p -67.73 -34.78 77.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.282 0.563 . . . . 0.0 110.959 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' LYS . . . . . 0.655 ' HD2' ' HZ ' ' B' ' 548' ' ' PHE . 0.1 OUTLIER -64.62 -44.73 89.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.529 HG22 ' HE2' ' B' ' 548' ' ' PHE . 48.8 t -71.4 -42.07 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.827 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.6 t -60.69 -49.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -68.59 -32.06 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.76 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.6 t80 -63.44 -49.58 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.217 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -71.38 -27.17 63.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.89 74.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.4 mmt-85 -65.4 -43.65 89.96 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 109.346 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.86 -37.21 81.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.262 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -76.73 -23.85 53.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -73.45 -28.39 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 110.478 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 556' ' ' PRO . 70.7 t -105.7 144.53 29.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.481 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 6.9 Cg_endo -53.67 125.99 20.4 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.361 1.374 . . . . 0.0 109.921 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 557' ' ' ARG . 2.2 ttt-85 -117.97 -6.58 10.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' A' ' 561' ' ' VAL . 88.7 m-85 -139.47 160.68 39.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.53 17.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.797 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.417 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 2.0 p-90 -87.39 -24.6 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 558' ' ' TYR . 7.1 p -121.93 122.5 27.69 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.45 0.643 . . . . 0.0 111.281 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.35 91.95 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.871 2.381 . . . . 0.0 112.082 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 556' ' ' PRO . 0.8 OUTLIER -69.61 -22.26 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.251 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.659 ' HB3' ' HD3' ' A' ' 556' ' ' PRO . 16.3 pm0 -59.22 -43.05 92.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.313 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.5 p -75.38 -29.6 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.102 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.772 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.95 -40.77 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.148 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.451 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.42 -13.78 61.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.404 0.621 . . . . 0.0 110.347 179.311 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.1 -13.76 37.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 566' ' ' VAL . 22.0 mt -80.46 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.496 0.665 . . . . 0.0 111.425 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -103.87 120.17 52.16 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.566 ' HD2' HD13 ' A' ' 570' ' ' LEU . 19.4 Cg_endo -60.58 -4.1 3.13 Favored 'Trans proline' 0 N--CA 1.47 0.145 0 C-N-CA 122.779 2.319 . . . . 0.0 111.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.487 ' HA ' ' HB3' ' A' ' 599' ' ' MET . 51.1 p -80.88 -14.77 57.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.881 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.7 OUTLIER -94.67 3.1 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.817 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 102.06 -144.43 16.29 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -125.41 -7.45 6.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.742 0.305 . . . . 0.0 110.388 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -35.5 65.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.269 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.34 -39.69 81.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.472 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.54 -41.69 98.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.969 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.5 m -61.07 -41.18 96.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.567 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.43 -40.01 74.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.934 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.3 pt -94.96 5.29 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.916 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.79 41.37 6.94 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.632 0.729 . . . . 0.0 110.396 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.532 ' CB ' HD12 ' A' ' 579' ' ' LEU . . . -90.5 45.43 1.26 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.8 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 586' ' ' HIS . . . -60.93 127.76 43.6 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.24 -0.981 . . . . 0.0 111.338 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 585' ' ' GLY . 55.7 t-80 86.96 -23.73 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.066 0.947 . . . . 0.0 112.032 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 0.9 OUTLIER -66.39 -24.35 66.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.458 0.647 . . . . 0.0 109.533 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.512 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -59.27 -25.01 63.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.211 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.462 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.23 -33.84 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.462 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.81 -38.81 92.5 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 74.2 m-85 -68.33 -43.39 77.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.314 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.66 -37.78 73.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.368 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.63 91.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.332 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.591 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.8 t-20 -83.59 -11.23 57.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.42 16.82 48.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.143 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.5 mt -96.95 92.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.776 0.322 . . . . 0.0 111.021 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.1 25.89 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.174 0.511 . . . . 0.0 110.151 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.15 172.49 12.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.092 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.487 ' HB3' ' HA ' ' A' ' 572' ' ' THR . 7.0 ptp -79.86 147.29 31.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.241 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.46 -44.69 3.24 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.39 -48.53 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.155 0.582 . . . . 0.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 2.4 ttt -58.39 -47.36 84.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.673 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.508 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.3 mp -68.42 -40.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -44.76 95.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.39 -34.11 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.111 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.628 ' HA ' HD11 ' A' ' 612' ' ' ILE . 75.5 t80 -66.67 -37.24 84.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 0.0 110.404 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 51.0 mt-10 -62.7 -43.44 98.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.665 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -78.17 -41.17 35.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.867 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -126.78 131.58 51.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.621 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -92.03 -1.75 57.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.041 0.448 . . . . 0.0 110.104 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 614' ' ' GLU . 17.6 p-10 -122.11 38.7 4.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.383 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.879 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -55.91 -51.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.145 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.56 -38.25 83.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.693 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 611' ' ' ASP . 5.4 mt-10 -67.8 -37.25 81.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.752 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -42.88 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.559 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.591 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.5 pt -72.42 -26.18 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.16 33.33 2.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.172 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -66.91 145.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 622' ' ' LYS . 11.0 t70 -65.45 129.34 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -59.48 -37.85 79.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.95 28.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 112.108 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.626 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 7.7 mtpt -125.68 -5.7 6.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 14.4 tp -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.729 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.23 95.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.14 -35.13 79.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.626 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -65.28 -44.7 87.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.717 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.115 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.01 -49.88 68.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.254 0.549 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.053 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.879 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.9 OUTLIER -63.62 -48.89 75.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.727 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.64 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.5 mm? -59.95 -44.35 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -60.53 -39.44 87.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.809 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.772 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.0 t80 -61.42 -43.99 97.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.623 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.85 -38.25 87.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 17.8 mmt180 -61.14 -45.62 93.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.149 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.9 mt -68.83 -45.55 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.706 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.66 82.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.111 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.99 -35.46 78.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.327 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.082 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.1 mtm -66.06 -34.98 79.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.44 0.638 . . . . 0.0 109.597 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -6.08 41.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.157 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 543' ' ' THR . 2.3 tp -78.76 123.45 85.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.677 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.46 -0.476 0 C-N-CA 122.95 2.433 . . . . 0.0 111.764 179.015 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.64 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.4 p90 . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 1.3 m -74.02 129.32 37.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -88.3 149.27 23.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.332 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 533' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -136.97 143.4 42.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.966 0.413 . . . . 0.0 110.96 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 126.94 36.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.5 tp -107.25 148.28 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 119.79 31.1 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.2 mm? -121.63 120.81 35.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.209 -178.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.55 157.57 26.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -53.1 -40.88 64.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 118.992 0.814 . . . . 0.0 112.444 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.83 90.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.822 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.54 -31.75 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 0.0 110.939 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.773 ' HE1' HD13 ' A' ' 535' ' ' LEU . 78.4 t80 -56.98 -51.67 68.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.735 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 543' ' ' THR . . . . . 1.058 HG22 ' HG ' ' B' ' 642' ' ' LEU . 4.5 p -63.84 -35.53 80.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -65.46 -44.72 86.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.414 HG21 HD11 ' B' ' 537' ' ' LEU . 54.5 t -71.34 -46.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' B' ' 642' ' ' LEU . 78.7 t -59.82 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.0 -37.08 85.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.655 ' HZ ' ' HD2' ' A' ' 544' ' ' LYS . 1.0 OUTLIER -58.63 -48.79 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.5 mt -71.52 -32.58 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.78 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 1.7 mmm-85 -63.99 -43.96 94.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -34.79 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.844 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.689 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.651 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -72.96 -55.26 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.062 0.458 . . . . 0.0 109.825 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.458 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 2.5 t -100.31 110.12 58.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' B' ' 555' ' ' VAL . 2.9 Cg_endo -46.88 127.16 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.077 2.518 . . . . 0.0 113.355 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 25.29 0.51 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.37 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -108.95 162.06 14.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.415 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' THR . . . . . 0.519 ' HB ' ' CD1' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -64.85 -33.19 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.519 ' CD1' ' HB ' ' B' ' 559' ' ' THR . 1.5 p-90 -155.72 -167.77 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.199 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.506 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.9 OUTLIER 76.62 130.35 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.944 0.778 . . . . 0.0 110.874 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 4.3 Cg_exo -77.05 68.93 7.23 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.156 2.571 . . . . 0.0 111.541 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -35.08 80.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.657 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 565' ' ' VAL . 1.6 pm0 -58.51 -50.11 74.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.497 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 8.3 p -73.14 -29.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.781 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.39 -40.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.438 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.526 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.576 . . . . 0.0 110.218 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -83.15 -15.29 51.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.96 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' B' ' 566' ' ' VAL . 56.1 mt -74.47 133.25 31.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.316 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -88.71 117.84 68.73 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.612 ' HD2' HD13 ' B' ' 570' ' ' LEU . 27.0 Cg_endo -62.0 7.36 0.13 Allowed 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 123.012 2.475 . . . . 0.0 113.144 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.9 p -89.15 -17.28 29.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.27 -25.01 39.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.432 0.634 . . . . 0.0 110.496 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 123.69 -125.05 5.75 Favored Glycine 0 N--CA 1.437 -1.297 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -131.69 -10.65 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.995 0.397 . . . . 0.0 111.495 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 576' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 0.2 OUTLIER -55.53 -39.48 70.58 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.496 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -63.46 -37.67 88.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.553 179.379 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.05 -41.81 94.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.31 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -42.29 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.49 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -60.96 -40.16 92.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.12 83.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.148 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -86.23 8.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.05 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.24 34.27 10.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.451 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -78.63 -68.26 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.193 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.2 -62.41 2.59 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -89.47 -16.58 30.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.9 OUTLIER -62.12 -24.86 67.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.555 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -58.23 -25.37 61.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.123 0.487 . . . . 0.0 110.375 179.178 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.44 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -61.41 -33.97 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.295 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' B' ' 616' ' ' ILE . 0.7 OUTLIER -67.92 -37.99 82.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 80.1 m-85 -66.71 -39.12 87.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.597 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.625 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.64 97.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.372 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.846 ' HB2' HG22 ' B' ' 616' ' ' ILE . 9.6 t-20 -83.11 -11.18 58.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.812 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.32 31.42 9.67 Favored Glycine 0 CA--C 1.508 -0.372 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.009 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 2.7 mt -109.64 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 120.756 0.312 . . . . 0.0 111.341 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -154.92 13.02 0.39 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.19 173.15 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.94 145.51 31.22 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.259 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.5 -38.18 2.46 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.315 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 601' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' B' ' 604' ' ' ARG . 4.8 t70 -62.31 -44.19 97.07 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.683 0.393 . . . . 0.0 111.639 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.41 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -62.16 -41.69 98.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.41 HD12 ' SD ' ' B' ' 602' ' ' MET . 1.1 mp -68.46 -40.0 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -62.1 -41.15 97.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.97 -35.67 78.76 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.572 ' HA ' HD11 ' B' ' 612' ' ' ILE . 27.7 t80 -68.75 -37.67 79.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 0.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.2 -45.29 88.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.246 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.73 -38.2 33.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.712 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -119.9 128.42 53.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.734 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.96 3.59 44.43 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.07 22.18 11.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.23 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.798 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -49.44 -58.96 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.61 -41.56 81.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.765 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.13 81.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.274 0.559 . . . . 0.0 110.572 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -66.55 -42.13 87.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' B' ' 594' ' ' ASN . 45.7 pt -71.9 -24.02 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.39 21.96 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.094 -1.05 . . . . 0.0 114.306 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.428 ' CG1' HD11 ' B' ' 616' ' ' ILE . 14.7 mm -66.14 144.47 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.85 124.98 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.792 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.8 OUTLIER -57.97 -29.17 65.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.345 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.28 60.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.913 0.387 . . . . 0.0 111.314 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -117.07 -7.27 11.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.5 tp -54.05 -44.41 71.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.636 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -47.89 83.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.233 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.422 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 1.7 tttt -67.88 -38.42 83.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.405 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 3.1 m-85 -65.24 -48.3 73.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.66 -32.7 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.28 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.38 -51.23 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.588 . . . . 0.0 109.415 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.01 81.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.708 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.798 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.5 t80 -60.25 -49.93 75.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.169 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.4 mm? -62.87 -45.09 94.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.866 0.365 . . . . 0.0 110.519 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 17.5 m -63.89 -37.61 88.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.785 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.781 ' HD1' HG13 ' B' ' 566' ' ' VAL . 35.0 t80 -60.92 -42.6 98.43 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 634' ' ' TYR . . . . . 0.402 ' HE1' HG23 ' B' ' 603' ' ' ILE . 91.2 t80 -60.4 -41.44 93.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 23.8 mmt180 -61.79 -45.58 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.689 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.0 mt -62.12 -47.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.666 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.496 ' HB3' HE21 ' B' ' 637' ' ' GLN . 0.0 OUTLIER -57.66 -45.43 85.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.327 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.598 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -71.06 -35.54 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.975 -179.533 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.742 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.23 -25.35 65.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.568 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.9 mmt -66.24 -41.15 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.378 0.608 . . . . 0.0 110.067 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -6.28 39.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.76 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 1.058 ' HG ' HG22 ' B' ' 543' ' ' THR . 7.0 tp -54.53 116.46 10.91 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.154 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -81.42 72.09 6.57 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.814 2.342 . . . . 0.0 111.664 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.626 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 2.0 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.165 0.507 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.72 138.38 44.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.601 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.47 ' HE2' HD21 ' A' ' 631' ' ' LEU . 26.1 m-85 -101.06 132.52 46.45 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.316 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -115.19 126.26 54.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' THR . . . . . 0.706 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -84.72 98.06 10.02 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.181 0.515 . . . . 0.0 110.369 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.44 145.94 27.89 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.185 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.16 120.11 31.83 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.1 mm? -119.4 126.76 52.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 156.1 39.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -33.03 64.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.555 0.616 . . . . 0.0 112.498 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.43 66.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.89 -30.7 35.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.133 0.492 . . . . 0.0 111.671 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.637 ' CE1' HD13 ' B' ' 535' ' ' LEU . 72.4 t80 -55.04 -45.78 75.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.249 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.2 p -67.33 -33.1 74.55 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.899 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -44.68 83.91 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.045 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.79 -43.2 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 111.473 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.0 t -60.08 -50.13 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.74 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -64.33 -39.06 93.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.406 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.553 ' HE2' HG22 ' B' ' 545' ' ' VAL . 4.7 t80 -58.49 -51.32 70.34 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.62 0.575 . . . . 0.0 111.295 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.576 ' HB3' ' NE ' ' A' ' 635' ' ' ARG . 19.8 mt -71.69 -26.22 62.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.786 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.89 75.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.7 mmt85 -63.24 -48.69 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.414 0.626 . . . . 0.0 110.181 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.12 -34.35 76.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.453 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.515 ' HB2' HH21 ' A' ' 635' ' ' ARG . . . -78.28 -17.79 56.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -82.82 -33.46 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.08 155.69 46.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.27 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.04 127.84 25.67 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.34 1.36 . . . . 0.0 108.649 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.51 -27.33 0.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -85.3 160.08 19.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.819 0.342 . . . . 0.0 110.531 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -68.63 -42.55 77.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.749 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.536 ' O ' ' HB ' ' A' ' 561' ' ' VAL . 15.1 p-90 -135.8 178.12 7.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.935 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.0 OUTLIER 80.72 121.05 0.03 OUTLIER Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 109.966 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 15.6 Cg_exo -68.63 84.24 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.24 2.627 . . . . 0.0 111.822 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -45.85 20.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.074 -178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.92 -49.99 73.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 569' ' ' ILE . 8.6 p -65.83 -31.8 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.681 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.83 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.91 -42.24 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.178 -179.539 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.641 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -73.53 -14.86 61.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.281 0.562 . . . . 0.0 110.283 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -16.56 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.4 mt -74.58 133.27 31.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.966 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.815 HD12 ' HD2' ' A' ' 571' ' ' PRO . 4.7 tp -89.03 115.52 63.84 Favored Pre-proline 0 N--CA 1.437 -1.097 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.815 ' HD2' HD12 ' A' ' 570' ' ' LEU . 18.6 Cg_endo -59.06 -1.68 0.93 Allowed 'Trans proline' 0 CA--C 1.522 -0.111 0 C-N-CA 123.018 2.478 . . . . 0.0 112.832 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 570' ' ' LEU . 63.4 p -79.5 -17.04 54.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.59 -15.59 54.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.773 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 110.21 -122.08 6.19 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.618 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -129.58 -4.0 4.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.4 -42.85 74.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.756 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.57 -37.84 80.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.935 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -63.2 -47.42 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.207 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.18 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.234 0.54 . . . . 0.0 109.723 179.101 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.7 m -60.59 -39.1 86.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.322 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.67 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.804 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.413 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 3.0 pt -94.48 9.09 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp 62.1 41.85 10.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.84 -15.64 58.22 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.115 -0.564 . . . . 0.0 114.254 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -110.01 -4.99 15.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.666 0.733 . . . . 0.0 111.672 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.572 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-20 -74.76 -23.67 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.12 -25.65 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.17 -33.51 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.659 178.697 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' A' ' 589' ' ' VAL . 0.6 OUTLIER -71.99 -40.23 68.71 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.068 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 84.5 m-85 -67.46 -41.95 83.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.958 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -58.45 -36.09 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.45 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.15 93.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.154 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.773 ' HB2' HG22 ' A' ' 616' ' ' ILE . 9.6 t-20 -85.51 -9.91 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.811 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.56 25.65 27.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.292 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.618 HG22 ' CD2' ' A' ' 575' ' ' LEU . 4.4 mt -100.94 103.13 14.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.792 0.329 . . . . 0.0 111.291 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.64 17.61 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.72 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.39 171.75 10.19 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -80.67 133.97 35.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.427 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 85.25 -29.19 4.4 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.561 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -45.75 91.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.52 92.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -42.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -62.63 -40.47 97.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 6.3 mm-40 -67.57 -33.81 75.78 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.9 t80 -66.92 -40.16 87.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.996 0.427 . . . . 0.0 109.976 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.93 -49.8 48.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -17.15 56.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m-70 -123.61 -62.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 80.84 -30.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.01 0.819 . . . . 0.0 110.139 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -101.1 25.75 7.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.695 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -52.15 -59.75 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.698 -179.092 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 616' ' ' ILE . 3.0 m-85 -57.19 -38.42 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.235 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 623' ' ' LEU . 0.7 OUTLIER -66.95 -43.21 83.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.285 0.564 . . . . 0.0 110.574 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -70.05 -42.93 72.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.957 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.773 HG22 ' HB2' ' A' ' 594' ' ' ASN . 48.3 pt -66.43 -26.64 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.656 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.81 25.78 4.11 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.866 -1.159 . . . . 0.0 114.589 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.8 142.75 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.763 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 26.4 t70 -65.16 133.53 51.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.602 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.85 -29.07 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.294 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 -6.87 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.0 0.429 . . . . 0.0 111.123 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.763 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 12.7 mtpt -121.52 -6.83 9.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.96 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -53.97 -45.59 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -44.87 96.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.437 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -68.86 -36.9 78.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.496 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -69.47 -47.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 0.0 111.281 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 561' ' ' VAL . 1.3 tp10 -64.6 -49.58 70.56 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.025 0.441 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.89 80.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.831 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.18 -48.09 83.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.62 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.3 OUTLIER -59.02 -44.59 91.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.071 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.512 ' HB3' ' HB1' ' A' ' 553' ' ' ALA . 20.2 m -58.56 -41.75 86.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 566' ' ' VAL . 3.6 t80 -61.93 -46.34 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.406 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.96 -39.36 94.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.9 mtp180 -59.72 -45.5 91.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.748 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.5 mt -70.17 -44.23 78.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.69 -39.79 77.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.169 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 638' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 2.8 tp10 -71.64 -38.11 70.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.33 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.08 -38.39 85.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.486 0.66 . . . . 0.0 110.164 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -5.24 44.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.956 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -62.63 133.21 94.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--O 1.234 0.322 0 C-N-CA 122.6 2.2 . . . . 0.0 111.387 178.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.69 137.82 33.59 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.206 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -88.02 130.12 35.07 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -116.26 131.01 57.06 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.31 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 122.16 26.24 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.637 HD13 ' CE1' ' A' ' 542' ' ' TYR . 12.5 tp -112.49 134.49 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.62 120.88 32.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.247 0.546 . . . . 0.0 110.935 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.409 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -120.41 134.18 55.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.0 OUTLIER -76.27 154.82 34.86 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.279 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -56.97 -40.41 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.057 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.42 84.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.494 ' O ' HG23 ' B' ' 545' ' ' VAL . 13.4 mm-40 -81.43 -31.19 33.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 546' ' ' VAL . 84.9 t80 -56.43 -51.57 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.052 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.766 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.4 p -61.87 -33.89 75.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.013 0.435 . . . . 0.0 111.479 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -44.97 75.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.553 HG22 ' HE2' ' A' ' 548' ' ' PHE . 29.9 t -71.92 -42.79 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.568 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.4 t -59.66 -50.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.783 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.62 -37.34 87.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.565 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.508 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.1 t80 -59.35 -48.31 82.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.14 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.942 ' HB3' ' HD3' ' B' ' 635' ' ' ARG . 21.1 mt -71.39 -30.22 65.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.207 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.41 80.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.9 mmt180 -68.49 -40.19 81.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.662 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.2 -35.74 81.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.01 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.67 -26.05 44.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.618 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 636' ' ' ILE . 43.6 mttt -79.22 -38.79 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.461 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.93 156.71 34.83 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -70.7 125.14 11.35 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 N-CA-C 108.845 -1.252 . . . . 0.0 108.845 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 25.14 0.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.699 0.761 . . . . 0.0 110.382 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 558' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' B' ' 560' ' ' TRP . 47.7 m-85 -137.53 139.81 40.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.673 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -4.26 47.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.586 0.708 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.47 ' O ' ' HB ' ' B' ' 561' ' ' VAL . 26.3 p-90 -149.98 160.87 43.28 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 560' ' ' TRP . 1.0 OUTLIER 74.88 117.02 0.03 OUTLIER Pre-proline 0 C--O 1.238 0.472 0 CA-C-O 121.307 0.575 . . . . 0.0 110.253 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.524 ' HB2' HG12 ' B' ' 565' ' ' VAL . 12.9 Cg_exo -71.15 81.3 1.18 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.179 2.586 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.42 80.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.919 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.51 85.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 569' ' ' ILE . 8.6 p -71.64 -32.91 47.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.01 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.55 -41.57 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.467 -179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' B' ' 636' ' ' ILE . 0.3 OUTLIER -72.14 -21.9 61.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.443 0.639 . . . . 0.0 109.896 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -79.45 -15.16 58.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.036 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' B' ' 566' ' ' VAL . 69.5 mt -74.5 140.43 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.298 0.571 . . . . 0.0 111.289 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -98.5 117.54 64.53 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 176.384 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.632 ' O ' ' HB2' ' B' ' 599' ' ' MET . 27.8 Cg_endo -61.83 -2.9 3.14 Favored 'Trans proline' 0 C--N 1.336 -0.106 0 C-N-CA 122.468 2.112 . . . . 0.0 111.998 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.411 ' H ' ' C ' ' B' ' 570' ' ' LEU . 70.2 p -80.32 -14.42 58.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.045 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 573' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.4 OUTLIER -92.34 -1.89 56.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.081 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 107.08 -144.1 15.87 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -121.01 -8.4 9.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.12 71.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.719 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.38 -38.33 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -66.83 -42.63 85.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.649 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.78 -42.68 90.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.784 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 25.1 m -61.07 -38.87 87.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.316 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -55.82 -39.04 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 17.6 pt -99.21 6.77 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.47 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.29 43.06 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.92 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.557 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -95.05 47.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.995 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.41 63.29 2.61 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.561 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.36 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 0.0 109.208 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.432 ' HA ' ' CD2' ' B' ' 590' ' ' LEU . 2.3 m-20 -68.1 -23.65 64.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.43 -25.42 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.593 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.459 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -64.69 -34.02 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.328 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.459 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -63.01 -36.93 85.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.485 0.66 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' B' ' 618' ' ' ILE . 78.7 m-85 -67.61 -44.04 79.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.373 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.12 -36.92 76.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.014 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.11 97.95 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.796 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.541 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.4 t30 -81.48 -13.15 58.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.01 15.14 55.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.94 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.6 mt -88.93 101.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.282 . . . . 0.0 110.881 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.71 19.02 0.27 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.177 0.513 . . . . 0.0 109.966 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.8 171.31 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.584 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.632 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.83 133.05 35.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.307 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 600' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' B' ' 604' ' ' ARG . . . 87.2 -29.63 5.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.26 -43.95 98.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.569 0.223 . . . . 0.0 111.502 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -42.57 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.517 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.2 mp -69.12 -40.8 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.135 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.554 ' HG3' ' HE3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -61.08 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.389 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.547 ' HA ' ' OE1' ' B' ' 605' ' ' GLU . 1.1 mm-40 -68.04 -32.8 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.82 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.893 ' HA ' HD11 ' B' ' 612' ' ' ILE . 88.3 t80 -67.3 -38.91 85.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.078 0.466 . . . . 0.0 110.317 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.81 -42.36 61.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 608' ' ' LYS . . . . . 0.554 ' HE3' ' HG3' ' B' ' 604' ' ' ARG . 3.4 mtmp? -77.3 -31.96 55.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 3.8 m-70 -117.28 -62.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -176.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 84.13 -23.04 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.378 1.049 . . . . 0.0 110.196 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.42 25.86 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.609 . . . . 0.0 109.813 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -52.79 -57.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.01 -42.32 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.866 0.365 . . . . 0.0 111.271 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.568 ' HG3' HD21 ' B' ' 623' ' ' LEU . 3.9 mt-10 -65.73 -37.46 86.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.317 0.58 . . . . 0.0 110.156 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -69.14 -43.11 75.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.807 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' B' ' 594' ' ' ASN . 47.9 pt -72.38 -21.66 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.91 27.92 4.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.856 -1.164 . . . . 0.0 113.732 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.3 mm -67.03 145.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.479 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 16.5 t0 -64.87 121.48 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.317 . . . . 0.0 111.046 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 3.1 m -60.44 -30.29 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.033 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -14.62 63.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 27.9 mtpt -119.94 -1.93 10.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.705 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' B' ' 614' ' ' GLU . 0.5 OUTLIER -54.0 -44.42 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.775 -178.475 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.3 86.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.061 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.428 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -66.82 -38.84 87.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.7 m-85 -65.7 -50.83 63.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.38 -32.13 73.61 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.433 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' B' ' 561' ' ' VAL . 13.8 tp10 -62.33 -48.77 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.5 85.16 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.606 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.593 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -60.97 -47.65 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.102 178.513 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 635' ' ' ARG . 0.6 OUTLIER -61.5 -40.83 96.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 39.0 m -57.65 -46.16 84.55 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.746 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.61 ' HD1' HG13 ' B' ' 566' ' ' VAL . 0.9 OUTLIER -61.61 -42.16 98.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.562 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -66.94 -37.99 85.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.942 ' HD3' ' HB3' ' B' ' 549' ' ' LEU . 39.8 mtt180 -58.26 -45.7 87.33 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.399 0.619 . . . . 0.0 109.799 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.445 HG23 ' HE3' ' B' ' 554' ' ' LYS . 10.0 mt -71.1 -47.03 63.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -44.0 93.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.726 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.4 tp10 -64.19 -35.11 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.717 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -66.8 -22.42 66.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.51 -33.37 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 641' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -89.59 -10.68 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.42 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.766 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.0 tp -73.43 126.21 90.14 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.649 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -87.87 -140.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.891 2.394 . . . . 0.0 110.777 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.484 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.64 ' HE1' ' HB3' ' B' ' 538' ' ' SER . 1.6 t80 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.77 155.68 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.598 ' HE2' HD21 ' A' ' 631' ' ' LEU . 56.9 m-85 -121.14 152.16 39.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.27 130.46 26.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.849 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 133.98 39.66 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.94 0.4 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.47 147.1 48.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' THR . . . . . 0.623 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -91.21 122.02 33.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -104.98 133.36 49.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.778 -178.261 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -71.7 158.29 36.4 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.181 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -50.87 70.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.0 78.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.114 0.483 . . . . 0.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.66 -30.35 64.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.688 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.643 ' HA ' HD12 ' A' ' 537' ' ' LEU . 53.6 t80 -56.22 -50.92 69.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.102 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 543' ' ' THR . . . . . 1.03 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.4 p -68.65 -34.22 75.34 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.34 -44.52 87.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.897 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.461 HG22 HD11 ' B' ' 549' ' ' LEU . 53.9 t -71.96 -44.65 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.805 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.0 t -59.77 -49.61 83.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.031 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -65.82 -32.75 74.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.95 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.568 ' HE2' HG22 ' B' ' 545' ' ' VAL . 0.8 OUTLIER -60.79 -47.3 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.039 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.6 mt -71.3 -27.99 63.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.055 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.6 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 7.8 mmt-85 -68.34 -36.47 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.56 -40.38 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.139 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.31 -20.05 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.169 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -83.87 -49.28 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 32.6 t -92.79 115.57 65.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.87 128.39 17.76 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.557 2.171 . . . . 0.0 112.72 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 40.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -117.76 161.64 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.428 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -113.22 -1.77 14.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.418 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 1.8 p -104.04 113.0 65.69 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.444 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.484 ' O ' HG12 ' A' ' 565' ' ' VAL . 4.5 Cg_endo -86.32 75.9 2.75 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.336 2.691 . . . . 0.0 110.805 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -60.16 -22.54 63.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.491 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.81 -38.22 69.69 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.5 p -80.3 -28.2 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.473 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -68.76 -37.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.571 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.94 -14.83 61.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 109.829 178.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.57 -18.71 30.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.333 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.727 HG12 ' HD2' ' A' ' 577' ' ' ARG . 42.2 mt -76.52 141.99 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.367 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.687 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.8 OUTLIER -97.79 124.08 49.36 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.25 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.687 ' HD2' HD13 ' A' ' 570' ' ' LEU . 34.9 Cg_endo -67.9 19.19 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.578 2.185 . . . . 0.0 111.862 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 66.7 p -109.21 -14.31 14.51 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.806 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.68 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 1.1 mt-10 -86.84 -43.94 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 142.46 -166.33 26.49 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -94.36 -8.37 39.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 110.099 179.445 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -44.53 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.205 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.727 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.1 -37.37 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.668 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -62.04 -44.7 96.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.948 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -65.22 -39.97 93.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 50.4 m -61.32 -38.72 87.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.546 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -58.17 -33.56 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.269 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.1 6.99 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 43.82 4.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.203 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.794 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -115.17 45.75 1.58 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.936 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -60.63 -27.98 67.11 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.757 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -84.78 -27.13 27.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.041 0.448 . . . . 0.0 111.407 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 26.5 m-20 -74.32 -22.96 59.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.169 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.99 -25.2 60.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.441 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.83 -33.71 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.385 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -64.52 -35.57 81.39 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.532 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.633 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 57.1 m-85 -67.73 -41.65 83.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.708 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.57 -35.83 70.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.718 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.31 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.739 ' HB2' HG22 ' A' ' 616' ' ' ILE . 9.3 t30 -79.21 -13.3 59.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.7 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.92 11.57 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.671 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 2.0 mt -108.24 101.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.585 -0.308 . . . . 0.0 110.8 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.89 8.74 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.879 0.371 . . . . 0.0 110.803 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 172.62 6.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.437 0.637 . . . . 0.0 112.536 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.617 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.29 137.75 35.77 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.644 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.04 -19.55 7.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' ' 604' ' ' ARG . 2.2 t0 -60.43 -45.26 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.15 0.58 . . . . 0.0 110.676 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.67 -40.19 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.388 -179.459 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.403 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -68.52 -42.44 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 109.858 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 604' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -63.06 -41.59 99.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.652 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.61 -34.93 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.644 ' HA ' HD11 ' A' ' 612' ' ' ILE . 57.6 t80 -66.93 -38.62 86.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.469 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.93 -39.46 69.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -72.63 -36.43 68.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.774 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -120.04 -134.46 0.32 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.0 -29.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.09 28.99 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.754 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.644 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -55.22 -63.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.692 -178.063 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -57.67 -38.56 75.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 0.0 111.352 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -45.3 80.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.867 0.365 . . . . 0.0 111.277 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -68.15 -40.34 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.623 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.739 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.9 pt -67.26 -25.46 33.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.613 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.89 24.82 4.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.145 -1.026 . . . . 0.0 114.29 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.2 mm -66.34 145.85 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.3 t0 -65.12 124.41 22.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.675 0.274 . . . . 0.0 110.664 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.73 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.684 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -15.97 62.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.205 0.526 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.545 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 17.2 mtpt -120.92 -4.27 9.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.441 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.73 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.3 tp -53.83 -44.19 70.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.767 -177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -43.5 94.92 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.224 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.582 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.82 -37.3 81.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.461 . . . . 0.0 110.884 -179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.582 ' HE1' ' HE2' ' A' ' 625' ' ' LYS . 2.1 m-30 -67.85 -48.03 67.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.223 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.12 -35.27 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.403 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -46.67 89.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 110.158 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.9 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -59.09 -49.99 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.947 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.598 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.0 mm? -66.02 -42.99 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 20.4 m -58.33 -46.24 86.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.663 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -40.54 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -59.48 -37.5 78.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.026 0.441 . . . . 0.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -40.88 74.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.571 HD13 ' HB3' ' A' ' 567' ' ' SER . 89.8 mt -59.58 -45.84 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.094 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.64 -40.65 79.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.866 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -73.46 -39.47 64.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.191 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.766 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.99 -25.36 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.682 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.1 mtt -67.05 -37.79 84.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -6.52 35.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.48 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 1.03 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -63.27 127.76 91.5 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.014 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 N--CA 1.456 -0.729 0 C-N-CA 123.293 2.662 . . . . 0.0 111.631 178.574 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 121.388 0.613 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 2.8 m -150.6 152.27 33.81 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.949 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.416 ' HE2' HD21 ' B' ' 631' ' ' LEU . 27.5 m-85 -104.91 147.16 28.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.6 0.714 . . . . 0.0 112.641 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 533' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -137.91 132.11 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.372 178.542 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 534' ' ' THR . . . . . 0.623 HG23 HG23 ' A' ' 536' ' ' THR . 0.0 OUTLIER -73.68 115.23 12.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.604 0.716 . . . . 0.0 111.911 -178.825 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 13.4 tp -98.01 149.26 22.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.21 118.89 31.77 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 111.053 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 141.59 51.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.64 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -89.68 158.34 17.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -45.25 94.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 119.173 0.897 . . . . 0.0 111.55 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.66 87.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.35 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.445 ' O ' HG23 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -77.29 -32.19 55.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.323 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.63 -50.33 72.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.851 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.566 HG22 ' HG ' ' B' ' 642' ' ' LEU . 26.1 p -61.8 -35.14 77.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.34 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -65.52 -44.58 86.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.568 HG22 ' HE2' ' A' ' 548' ' ' PHE . 39.7 t -70.31 -43.28 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' B' ' 642' ' ' LEU . 42.3 t -59.52 -49.73 82.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.41 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.204 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.618 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.1 t80 -59.17 -49.89 76.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.206 0.527 . . . . 0.0 110.418 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.618 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 5.6 mt -72.01 -28.18 63.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.26 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.2 mmt180 -66.34 -48.37 70.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.059 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.4 -39.87 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.423 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.94 -19.45 57.35 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -88.95 -21.55 23.5 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.249 -0.282 . . . . 0.0 111.718 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' B' ' 556' ' ' PRO . 3.5 m -111.21 159.84 31.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.322 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' B' ' 555' ' ' VAL . 27.9 Cg_endo -65.66 128.18 19.51 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.589 1.526 . . . . 0.0 108.613 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 557' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -163.51 -38.97 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.058 0.456 . . . . 0.0 111.079 -177.469 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -100.9 124.01 45.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.907 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.33 -44.74 10.01 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -69.24 -24.47 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.12 121.78 25.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.463 ' HB2' HG12 ' B' ' 565' ' ' VAL . 90.6 Cg_endo -79.3 72.81 6.32 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.84 2.36 . . . . 0.0 113.147 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -27.6 54.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.5 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -59.42 -44.96 92.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 -179.521 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 569' ' ' ILE . 12.7 p -74.69 -26.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.122 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.805 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.0 OUTLIER -65.51 -41.27 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.934 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.666 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.53 -21.12 61.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.384 0.611 . . . . 0.0 109.846 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.92 -18.28 50.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.929 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 566' ' ' VAL . 60.2 mt -74.63 135.38 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.7 OUTLIER -86.43 117.1 68.13 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.67 ' O ' ' HB2' ' B' ' 599' ' ' MET . 41.5 Cg_endo -68.6 22.46 0.14 Allowed 'Trans proline' 0 C--N 1.336 -0.119 0 C-N-CA 122.821 2.347 . . . . 0.0 111.946 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' B' ' 570' ' ' LEU . 80.7 p -111.07 -7.87 14.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.84 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 573' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' B' ' 577' ' ' ARG . 0.0 OUTLIER -96.92 -34.08 11.37 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 143.01 -147.36 18.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.609 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -118.79 -1.57 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.754 0.311 . . . . 0.0 110.303 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 576' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 6.3 pt-20 -60.29 -39.67 87.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.274 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -67.03 -37.79 84.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.969 0.414 . . . . 0.0 110.083 178.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.88 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.818 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -42.84 91.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.831 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.3 m -60.2 -40.62 90.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.524 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.53 86.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.039 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' B' ' 626' ' ' TYR . 10.9 pt -91.81 8.0 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.867 -178.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 62.51 39.48 11.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -87.17 45.67 1.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.01 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.14 54.17 2.25 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.288 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -178.15 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.404 0.621 . . . . 0.0 109.38 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 6.2 m-20 -66.85 -24.46 66.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.364 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.66 -26.4 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.864 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -61.7 -34.12 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.19 -36.94 84.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.933 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.508 ' CE1' HD11 ' B' ' 618' ' ' ILE . 86.6 m-85 -68.07 -44.69 75.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.539 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.86 88.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.805 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.425 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.8 t-20 -83.65 -10.05 58.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.339 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.98 15.92 55.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.968 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 7.4 mt -96.68 84.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.614 -0.293 . . . . 0.0 110.85 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -131.83 11.19 4.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.992 0.425 . . . . 0.0 110.274 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.63 168.81 9.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.368 0.604 . . . . 0.0 112.074 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.67 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.06 137.33 34.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.972 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.34 -23.63 5.34 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.535 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -39.75 84.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.68 -43.08 94.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.476 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.436 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.9 mt -67.88 -41.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.421 ' HG2' ' HD2' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -60.42 -46.84 88.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.701 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.85 -33.35 75.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.156 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.934 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.5 t80 -63.36 -41.3 98.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.54 -43.36 90.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.633 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 608' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.552 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 88.7 m-70 -119.06 -71.94 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 0.0 OUTLIER 103.31 -36.91 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.455 1.502 . . . . 0.0 110.587 -179.086 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.5 43.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.702 0.763 . . . . 0.0 109.093 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -59.87 -51.96 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.906 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.478 ' HB2' ' CZ ' ' B' ' 627' ' ' TYR . 2.5 m-85 -57.93 -42.18 84.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -39.94 93.35 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.421 0.629 . . . . 0.0 110.214 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.55 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.956 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.07 -24.37 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 617' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.41 33.5 2.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.079 -1.058 . . . . 0.0 113.775 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.6 mm -66.75 145.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 117.206 0.503 . . . . 0.0 110.143 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.14 122.66 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.473 . . . . 0.0 110.526 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.647 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.2 m -65.26 -21.27 66.71 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -17.08 63.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.192 0.52 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.717 ' HB3' ' HD3' ' B' ' 625' ' ' LYS . 0.1 OUTLIER -129.23 2.18 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.086 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -53.16 -44.16 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.045 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.09 83.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.319 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.717 ' HD3' ' HB3' ' B' ' 622' ' ' LYS . 0.0 OUTLIER -64.04 -34.26 77.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.562 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.6 m-85 -64.6 -51.16 64.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 627' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 21.6 m-85 -65.03 -33.27 75.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.239 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.73 -49.36 75.34 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.05 86.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.009 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.663 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.8 OUTLIER -59.6 -49.88 76.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.379 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.3 OUTLIER -61.28 -44.15 97.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.501 . . . . 0.0 110.213 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.513 ' HA ' ' HE ' ' B' ' 635' ' ' ARG . 50.4 m -61.59 -42.98 99.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.51 96.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.53 -39.04 93.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH1' HD13 ' B' ' 549' ' ' LEU . 0.2 OUTLIER -65.46 -46.02 81.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.469 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.666 HD13 ' HB3' ' B' ' 567' ' ' SER . 24.8 mt -60.32 -41.87 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.439 0.638 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -46.21 89.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.467 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -37.01 85.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.351 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.46 -26.58 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.243 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -37.16 84.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.419 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -5.4 50.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.392 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.2 tp -68.82 125.83 92.22 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.726 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.27 49.83 2.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.927 2.418 . . . . 0.0 111.656 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.15 -179.583 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 121.017 0.437 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.84 146.04 33.91 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.01 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.528 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 22.0 m-85 -105.13 132.43 51.35 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.44 126.11 44.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 123.16 29.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.12 0.486 . . . . 0.0 110.698 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.52 HD13 ' HE1' ' B' ' 542' ' ' TYR . 12.2 tp -109.34 145.52 35.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.97 122.28 34.34 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.121 0.486 . . . . 0.0 109.916 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.452 ' CB ' ' HD1' ' A' ' 542' ' ' TYR . 1.6 mm? -118.35 130.11 55.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.436 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.457 ' HB2' ' CD1' ' B' ' 530' ' ' TYR . 95.8 p -75.86 157.16 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.65 -29.06 58.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.54 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.21 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -83.4 -30.05 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.712 179.371 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.55 ' CE1' HD13 ' B' ' 535' ' ' LEU . 62.1 t80 -54.2 -50.41 67.16 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.982 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.919 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.0 p -67.58 -33.76 75.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -65.84 -44.0 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.522 HG22 ' HE2' ' B' ' 548' ' ' PHE . 60.6 t -71.64 -43.74 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 111.827 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.5 t -60.4 -51.11 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.241 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.84 -33.16 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.4 t80 -60.63 -50.85 71.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' B' ' 544' ' ' LYS . 16.6 mt -70.79 -29.76 66.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.327 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.31 77.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.6 mmt85 -63.6 -46.07 87.45 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.381 0.61 . . . . 0.0 109.47 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 552' ' ' GLU . 2.4 mm-40 -69.04 -39.76 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -67.66 -22.91 65.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.12 -20.76 60.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.352 0.596 . . . . 0.0 110.631 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.73 159.79 37.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.337 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -75.22 123.93 8.12 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 N-CA-C 108.537 -1.37 . . . . 0.0 108.537 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 56.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.401 0.619 . . . . 0.0 110.675 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -132.73 162.13 32.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.163 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -58.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -153.29 52.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.176 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.9 p -158.94 121.21 1.93 Allowed Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.871 0.367 . . . . 0.0 111.032 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 5.2 Cg_exo -75.33 99.67 1.29 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.103 2.536 . . . . 0.0 111.374 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.71 -10.51 59.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.788 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.02 -50.62 70.39 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.6 p -70.06 -29.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.52 -40.12 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.608 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.536 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.26 -16.8 61.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.536 0.684 . . . . 0.0 109.906 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.33 -12.03 58.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.215 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.8 HG12 ' HD2' ' A' ' 577' ' ' ARG . 26.8 mt -83.4 134.92 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.696 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -90.31 117.15 67.8 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.367 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.696 ' HD2' HD13 ' A' ' 570' ' ' LEU . 56.2 Cg_endo -69.46 28.4 0.17 Allowed 'Trans proline' 0 N--CA 1.471 0.181 0 C-N-CA 123.026 2.484 . . . . 0.0 112.594 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 570' ' ' LEU . 67.3 p -110.45 -16.76 13.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.2 -36.16 14.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.981 0.42 . . . . 0.0 110.634 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 146.52 -144.43 12.72 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.029 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.545 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -116.1 -5.38 11.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.785 0.326 . . . . 0.0 110.523 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -44.48 81.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.537 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.8 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.86 -37.94 89.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.466 ' HA ' HD13 ' A' ' 569' ' ' ILE . 51.3 t80 -62.3 -42.29 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.957 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -45.42 86.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.944 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 29.7 m -60.52 -37.89 82.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 110.652 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -59.88 -40.71 89.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 626' ' ' TYR . 18.3 pt -96.87 9.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 65.85 40.24 4.31 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.326 0.584 . . . . 0.0 111.288 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -99.26 47.74 0.96 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.248 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.65 52.83 3.2 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.833 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.02 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 109.824 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.587 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 5.1 m-20 -68.28 -23.24 64.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.979 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -57.77 -25.76 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.508 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.21 -33.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.349 0.595 . . . . 0.0 110.127 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.35 -37.91 86.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.996 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 73.6 m-85 -67.53 -42.67 82.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.35 -40.31 74.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.286 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.85 98.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.631 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.588 ' HB2' HG22 ' A' ' 616' ' ' ILE . 6.5 t30 -82.22 -10.75 59.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.2 17.32 53.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.027 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.545 HG22 ' CD2' ' A' ' 575' ' ' LEU . 7.9 mt -95.58 87.35 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.789 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.01 15.26 3.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.923 0.392 . . . . 0.0 110.634 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 167.99 11.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.434 0.635 . . . . 0.0 112.127 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.681 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.21 133.68 35.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.584 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.63 -29.56 6.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.997 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -37.19 83.87 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.47 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.927 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.411 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.2 mp -69.68 -43.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 109.716 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.43 -46.55 89.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 4.6 mm-40 -65.97 -33.83 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.757 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.784 ' HA ' HD11 ' A' ' 612' ' ' ILE . 8.0 t80 -64.88 -42.1 95.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.451 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -75.32 -37.29 60.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.091 0.472 . . . . 0.0 110.615 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -78.17 -32.04 49.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 10.8 m80 -110.63 -53.29 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.01 -32.2 0.1 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.931 0.893 . . . . 0.0 111.147 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -108.7 31.54 5.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.2 OUTLIER -52.58 -58.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.864 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -57.97 -41.02 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.537 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.97 -35.51 78.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.474 0.654 . . . . 0.0 110.041 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -69.82 -43.06 72.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.443 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.8 pt -72.73 -26.5 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.476 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.37 34.29 2.33 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.056 -1.068 . . . . 0.0 114.098 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.18 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.041 0.421 . . . . 0.0 110.12 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -64.27 121.0 13.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.325 0.583 . . . . 0.0 110.506 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.8 OUTLIER -58.73 -31.88 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 113.22 -178.401 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -17.41 58.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.474 ' HB3' ' HE2' ' A' ' 625' ' ' LYS . 6.6 mtmm -132.63 3.36 3.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.948 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 3.4 tp -53.33 -44.19 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -45.13 92.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.72 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -62.25 -36.41 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-30 -67.64 -46.09 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.489 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -64.62 -38.92 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.453 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -47.49 85.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.853 0.359 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.27 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.97 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -56.63 -44.73 81.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.819 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.528 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 1.9 mm? -63.5 -44.87 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.013 0.435 . . . . 0.0 111.561 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -39.55 94.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.2 t80 -60.16 -46.65 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.89 89.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.4 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.417 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.5 mt -63.15 -48.31 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.626 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.547 ' HG2' ' HE2' ' A' ' 641' ' ' LYS . 6.2 tt0 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.8 -37.5 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -66.42 -29.78 70.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.522 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.0 mmt -71.43 -32.13 68.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.317 0.58 . . . . 0.0 109.873 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.79 -6.0 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.507 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.919 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.03 138.61 97.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.959 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 122.539 2.16 . . . . 0.0 110.961 178.236 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.469 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 143.58 57.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.166 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.785 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 17.9 m-85 -87.93 145.99 25.76 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.068 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 533' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -126.25 142.21 51.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.504 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.41 123.28 31.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.082 0.468 . . . . 0.0 111.786 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 542' ' ' TYR . 13.7 tp -110.5 142.37 42.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.531 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 120.45 32.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 545' ' ' VAL . 0.7 OUTLIER -122.2 124.08 42.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.04 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.87 157.16 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.47 48.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.49 74.95 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.45 -30.28 42.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 111.256 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.52 ' HE1' HD13 ' A' ' 535' ' ' LEU . 75.3 t80 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.292 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.743 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.7 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 111.137 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 544' ' ' LYS . . . . . 0.593 ' HD3' HD21 ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.88 -42.5 90.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.498 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.489 HG21 HD11 ' B' ' 537' ' ' LEU . 41.4 t -70.48 -44.63 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.7 t -60.3 -50.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.627 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.76 -37.02 85.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.897 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.6 -50.86 71.76 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.366 0.416 . . . . 0.0 111.286 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -69.44 -31.26 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.76 73.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.758 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 22.1 mmt85 -66.71 -44.84 80.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.713 0.292 . . . . 0.0 110.528 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.48 -32.22 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.356 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.129 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 14.8 mtmt -76.61 -62.26 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.96 122.23 68.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -45.07 124.96 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.664 2.242 . . . . 0.0 113.149 -177.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 557' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -142.08 14.84 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.73 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.1 160.49 22.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.689 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.34 -40.26 4.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -103.19 -0.47 30.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.4 p -131.64 117.08 16.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.074 0.464 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.12 85.87 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.879 2.386 . . . . 0.0 112.048 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -20.13 34.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 7.7 pm0 -59.22 -33.53 71.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.906 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.3 p -81.11 -28.05 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.433 . . . . 0.0 110.207 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.803 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.89 -39.58 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.062 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.493 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -73.79 -13.74 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.383 0.611 . . . . 0.0 110.302 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -14.71 51.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.013 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 8.2 mt -83.54 141.35 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.051 0.453 . . . . 0.0 111.478 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -91.08 119.12 68.88 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' B' ' 599' ' ' MET . 54.7 Cg_endo -68.5 24.97 0.14 Allowed 'Trans proline' 0 N--CA 1.473 0.284 0 C-N-CA 123.123 2.549 . . . . 0.0 112.625 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.501 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.4 p -109.13 -10.92 14.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 -48.11 6.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.62 -143.47 9.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.6 -5.45 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.786 0.293 . . . . 0.0 111.058 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -43.06 75.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 111.357 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.465 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.65 -37.16 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.13 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -64.72 -44.77 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.789 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -64.07 -42.24 97.04 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.6 m -61.4 -37.89 85.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.073 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.91 -40.07 72.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.797 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -99.17 8.79 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.363 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 43.75 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.703 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.728 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -103.15 41.38 1.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.904 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.35 68.02 1.8 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.569 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -178.2 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.684 0.754 . . . . 0.0 109.221 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.08 -21.66 59.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.923 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.593 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.59 -25.87 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.842 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.483 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -60.16 -33.88 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.221 0.534 . . . . 0.0 110.16 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.483 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.35 -38.93 92.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.268 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.593 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 80.0 m-85 -68.8 -44.08 74.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.296 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.94 -39.81 78.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.14 86.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.132 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.44 ' HB3' HG13 ' B' ' 596' ' ' ILE . 3.8 t30 -83.06 -13.67 55.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.3 43.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.028 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.7 mt -97.32 107.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -167.7 25.99 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.318 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.12 171.4 10.88 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.458 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.659 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.91 132.82 35.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.594 179.531 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.23 -32.62 2.52 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -46.0 90.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.066 0.546 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.73 91.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -39.66 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' B' ' 605' ' ' GLU . 0.1 OUTLIER -62.67 -41.13 98.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 179.159 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' B' ' 604' ' ' ARG . 0.5 OUTLIER -66.47 -35.48 80.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.739 ' HA ' HD11 ' B' ' 612' ' ' ILE . 21.7 t80 -66.22 -38.59 88.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.28 -38.91 71.8 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.447 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -78.37 -39.83 38.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.083 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -103.47 -38.72 7.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 74.5 -49.55 0.67 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.024 0.53 . . . . 0.0 111.499 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.57 45.65 0.96 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.965 0.888 . . . . 0.0 108.897 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.832 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -57.16 -54.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.69 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.428 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.6 m-85 -57.54 -37.41 73.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 110.277 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -41.45 92.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -42.96 72.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.524 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.8 pt -70.33 -21.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 617' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 108.43 30.27 3.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.941 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' B' ' 591' ' ' PHE . 18.9 mm -66.13 146.61 13.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -63.67 120.65 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.113 0.482 . . . . 0.0 110.058 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.4 OUTLIER -54.64 -37.29 65.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.029 -178.258 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -13.25 47.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 111.817 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 15.5 mtpt -125.15 -1.56 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.73 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 14.4 tp -54.64 -45.49 73.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.754 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -42.65 99.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.631 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.513 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 2.6 tttt -65.64 -36.74 84.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.513 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.8 m-30 -68.89 -45.91 69.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.4 -36.5 82.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.74 -49.89 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.371 0.605 . . . . 0.0 109.759 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.19 -41.97 80.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.619 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.832 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.4 t80 -57.99 -49.47 76.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.86 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.785 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 3.2 mm? -63.9 -43.6 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.561 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 37.5 m -61.5 -40.88 96.2 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.082 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.803 ' HD1' HG13 ' B' ' 566' ' ' VAL . 25.9 t80 -63.33 -44.44 94.89 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.25 -39.58 87.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.899 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.459 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -65.01 -44.23 89.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.196 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.556 HD11 ' HB1' ' B' ' 553' ' ' ALA . 54.2 mt -62.3 -44.92 99.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.44 -40.9 96.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -63.41 -28.65 70.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.472 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.54 0.686 . . . . 0.0 109.79 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.42 -5.26 43.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.044 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.743 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.6 tp -69.21 134.31 89.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.465 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.04 -158.0 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.8 2.333 . . . . 0.0 111.105 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.869 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.526 ' HD1' ' HE1' ' A' ' 532' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 121.105 0.478 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.22 133.09 43.13 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.121 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.526 ' HE1' ' HD1' ' A' ' 530' ' ' TYR . 13.7 m-30 -90.48 129.23 36.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.409 0.623 . . . . 0.0 110.937 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -113.45 125.37 54.15 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.838 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' THR . . . . . 0.468 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.71 105.15 12.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.83 0.348 . . . . 0.0 110.255 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -104.86 147.62 27.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.18 126.86 36.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -114.38 137.7 51.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.195 -178.621 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.495 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -81.71 157.99 24.38 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -46.78 60.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.35 82.56 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -79.49 -30.88 42.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.74 0.305 . . . . 0.0 111.339 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 546' ' ' VAL . 77.9 t80 -55.91 -51.18 68.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' THR . . . . . 1.027 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.1 p -67.52 -34.5 77.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.179 0.514 . . . . 0.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' LYS . . . . . 0.404 ' HG3' ' HZ ' ' B' ' 548' ' ' PHE . 7.3 tptm -66.16 -44.78 83.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.632 HG22 ' HE2' ' B' ' 548' ' ' PHE . 59.2 t -71.21 -43.07 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.072 0.463 . . . . 0.0 111.68 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 642' ' ' LEU . 54.7 t -60.2 -50.54 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.175 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.7 OUTLIER -69.33 -34.07 74.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.555 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.559 ' HZ ' ' HE2' ' B' ' 544' ' ' LYS . 8.8 t80 -59.7 -51.87 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 110.894 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -72.68 -26.3 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.0 73.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.5 mmt85 -65.86 -43.12 89.37 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -44.06 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -65.11 -21.29 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.967 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -79.8 -11.99 59.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 0.0 110.182 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.97 131.76 22.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.128 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 10.1 Cg_endo -54.71 128.82 31.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.539 2.159 . . . . 0.0 111.923 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -119.22 -13.45 9.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.946 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -130.72 160.71 33.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.957 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -45.23 8.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -40.65 60.63 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.157 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.519 HG23 HG22 ' A' ' 582' ' ' ILE . 3.4 p -104.19 105.96 51.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 0.0 110.394 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 561' ' ' VAL . 36.8 Cg_endo -67.84 110.61 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.64 2.226 . . . . 0.0 111.662 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -33.58 53.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.048 -178.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 8.0 tm0? -65.2 -45.9 82.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.9 p -61.47 -34.25 60.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.303 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.3 t -67.65 -39.99 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.901 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.624 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.08 -15.22 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.334 0.588 . . . . 0.0 109.689 178.795 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.74 -20.59 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.259 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 566' ' ' VAL . 40.7 mt -74.55 141.04 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.745 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -93.58 119.92 66.76 Favored Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.745 ' HD2' HD13 ' A' ' 570' ' ' LEU . 36.7 Cg_endo -67.88 16.73 0.14 Allowed 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.932 2.421 . . . . 0.0 112.394 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 570' ' ' LEU . 62.1 p -107.98 -0.63 21.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 2.5 mt-10 -100.15 -29.48 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.068 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 130.5 -159.73 22.91 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.487 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -105.09 1.23 28.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.236 0.541 . . . . 0.0 109.574 178.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -46.96 78.79 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.729 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.636 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.94 -37.46 78.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.728 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -58.79 -48.6 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -66.44 -32.47 73.87 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 54.1 m -64.35 -45.18 88.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.971 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.6 71.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.566 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.654 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.5 OUTLIER -93.65 5.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.454 -178.487 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 60.17 38.39 20.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.609 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -83.39 -89.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.71 -51.51 4.28 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.076 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -35.06 67.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.498 0.666 . . . . 0.0 110.914 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.01 -24.23 66.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.23 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.402 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -57.08 -24.52 54.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.918 0.389 . . . . 0.0 110.034 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.502 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -60.77 -34.44 59.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.967 178.562 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.502 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -70.02 -39.64 75.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.251 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.429 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 91.7 m-85 -67.21 -44.56 79.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.359 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.18 -38.77 80.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.108 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.59 95.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.09 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.681 ' HB2' HG22 ' A' ' 616' ' ' ILE . 7.6 t30 -80.43 -14.0 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.2 11.13 53.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.815 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.487 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -91.3 81.06 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.66 7.43 7.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.95 0.405 . . . . 0.0 110.303 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' THR . . . . . 0.455 HG22 ' SD ' ' A' ' 599' ' ' MET . 0.2 OUTLIER -114.6 170.9 7.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -84.03 137.98 33.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.929 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.15 -27.61 4.46 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.007 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -37.81 82.7 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.32 -40.81 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.939 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.451 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mp -69.88 -42.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.036 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -59.51 -45.8 90.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.535 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.51 -32.84 74.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.066 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.487 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.2 t80 -66.36 -37.06 84.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.36 0.6 . . . . 0.0 110.516 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.95 -45.13 95.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.462 0.648 . . . . 0.0 109.378 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -79.55 -37.44 36.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 61.2 m-70 -125.98 140.32 52.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.55 -5.3 21.64 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.47 25.14 11.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.814 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.4 OUTLIER -51.09 -57.45 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.242 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -61.09 -41.97 97.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.7 mt-10 -63.82 -38.86 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.243 0.544 . . . . 0.0 109.935 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -66.58 -42.81 86.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.584 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 594' ' ' ASN . 37.2 pt -71.42 -22.41 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.14 25.92 4.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.457 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 21.0 mm -66.87 137.57 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.82 135.74 54.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.907 0.384 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -63.46 -26.57 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.246 -179.051 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -14.26 62.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.172 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -124.92 -5.69 7.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 110.824 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.0 tp -54.07 -44.09 70.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.653 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -48.39 81.96 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -65.04 -37.78 88.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 0.0 110.725 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.654 ' HD1' HD12 ' A' ' 582' ' ' ILE . 19.9 m-85 -66.55 -49.42 66.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 5.7 m-85 -66.61 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.59 -50.76 70.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.346 0.593 . . . . 0.0 110.324 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.99 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.339 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.814 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -62.39 -49.88 73.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.54 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.551 HD12 ' NH2' ' A' ' 635' ' ' ARG . 3.5 mm? -64.51 -44.73 89.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.896 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.8 m -59.57 -42.45 92.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.811 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.508 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -63.07 -40.92 99.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.029 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.92 -38.42 82.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.551 ' NH2' HD12 ' A' ' 631' ' ' LEU . 1.9 mmt85 -62.59 -45.72 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.598 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 567' ' ' SER . 5.3 mt -67.05 -47.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.499 0.666 . . . . 0.0 110.49 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -58.03 -39.05 77.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.451 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 1.2 tp10 -72.54 -36.08 68.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.668 0.27 . . . . 0.0 110.552 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.14 -25.42 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.143 0.497 . . . . 0.0 111.6 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.84 -35.26 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.412 0.625 . . . . 0.0 110.136 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -5.59 39.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.83 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 1.027 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.8 tp -61.59 126.76 87.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.068 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.234 0.292 0 C-N-CA 122.808 2.338 . . . . 0.0 111.348 178.703 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 103.82 15.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.98 147.55 24.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.295 0.569 . . . . 0.0 111.584 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 533' ' ' ARG . . . . . 0.475 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 4.7 mtp85 -103.45 125.78 50.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.725 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 113.85 21.83 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.332 0.587 . . . . 0.0 111.863 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.9 tp -107.17 134.72 49.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.422 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.468 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.49 121.83 33.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.343 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 545' ' ' VAL . 0.6 OUTLIER -120.26 131.78 55.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 -179.318 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -78.32 155.26 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -32.98 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.4 -46.18 67.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.451 ' CD ' HH12 ' A' ' 635' ' ' ARG . 0.0 OUTLIER -81.53 -27.67 34.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.047 0.451 . . . . 0.0 111.718 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.449 ' CE2' HG21 ' B' ' 546' ' ' VAL . 87.5 t80 -52.69 -47.82 66.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.778 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.0 p -61.2 -37.42 82.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.986 0.422 . . . . 0.0 111.424 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 544' ' ' LYS . . . . . 0.559 ' HE2' ' HZ ' ' A' ' 548' ' ' PHE . 7.7 tttt -64.97 -43.0 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.141 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.461 HG21 HD11 ' B' ' 537' ' ' LEU . 98.0 t -70.43 -43.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.392 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' B' ' 642' ' ' LEU . 50.1 t -59.93 -50.18 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.61 -37.35 87.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.14 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.632 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.6 t80 -59.39 -50.03 75.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.449 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.706 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.76 -30.6 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.34 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.39 -35.16 76.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.0 mmt85 -68.65 -39.05 80.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.3 -40.59 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.283 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.75 -21.55 61.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -14.95 60.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.04 132.25 23.11 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.54 128.45 24.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.131 1.887 . . . . 0.0 112.628 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -117.69 -19.34 9.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.733 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -121.12 152.41 38.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.496 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -38.71 10.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -72.98 -34.8 66.67 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 5.4 p -114.28 102.09 54.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.721 ' HB2' HG12 ' B' ' 565' ' ' VAL . 24.1 Cg_exo -63.07 94.98 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.295 2.663 . . . . 0.0 112.532 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -24.9 61.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.426 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.21 -50.74 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.761 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.757 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.6 p -63.93 -29.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.271 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.77 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.01 -39.64 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.218 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.432 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.61 -14.12 60.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 179.226 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -11.43 58.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.688 HG12 ' HD2' ' B' ' 577' ' ' ARG . 6.4 mt -87.54 141.33 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.781 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -87.22 117.79 69.07 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.416 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' B' ' 570' ' ' LEU . 49.7 Cg_endo -69.59 25.05 0.17 Allowed 'Trans proline' 0 C--N 1.335 -0.158 0 C-N-CA 122.823 2.349 . . . . 0.0 112.279 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' B' ' 570' ' ' LEU . 73.1 p -108.65 -3.86 17.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.094 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 573' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' B' ' 570' ' ' LEU . 0.0 OUTLIER -98.99 -79.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -168.42 -134.95 1.8 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.698 HD21 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -128.51 -4.3 5.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.623 0.249 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -45.16 81.18 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.206 0.527 . . . . 0.0 111.186 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.688 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.4 -36.39 84.01 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.22 -44.48 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.216 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.465 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.2 OUTLIER -63.8 -40.23 96.15 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.035 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.1 m -66.83 -37.19 84.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.757 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.53 -36.75 71.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.943 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.581 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -98.45 4.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.623 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.54 43.78 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.387 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.553 ' HB1' ' OD1' ' B' ' 587' ' ' ASP . . . -99.71 -105.29 0.22 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 103.75 -46.51 1.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 115.373 0.909 . . . . 0.0 115.373 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -67.35 -20.1 65.53 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.014 0.911 . . . . 0.0 110.651 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.553 ' OD1' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -74.48 -26.29 59.92 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.815 -178.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 6.9 m -56.62 -25.97 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.516 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -65.84 -34.02 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.001 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.516 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -70.14 -43.2 71.43 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.49 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.429 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.9 m-85 -66.64 -42.1 87.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.195 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.73 -40.39 87.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.14 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.91 96.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.147 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.4 t30 -81.29 -11.6 59.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.027 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.29 17.97 51.15 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.335 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.698 HG22 HD21 ' B' ' 575' ' ' LEU . 8.6 mt -95.06 99.58 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.44 10.84 0.87 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.95 172.0 10.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.29 144.75 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.107 0.48 . . . . 0.0 110.66 -179.195 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.74 -33.2 4.49 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.424 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.99 -49.21 78.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 111.32 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.456 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.58 -38.4 89.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.575 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.5 mp -68.37 -41.2 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.131 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -64.06 -41.49 97.34 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.181 0.515 . . . . 0.0 109.694 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -34.09 77.14 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.204 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.586 ' HA ' HD11 ' B' ' 612' ' ' ILE . 65.5 t80 -66.77 -37.74 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.3 0.571 . . . . 0.0 110.653 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 607' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 45.4 mt-10 -68.29 -38.56 81.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.497 0.665 . . . . 0.0 109.659 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -76.46 -41.17 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.386 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -138.07 147.35 43.96 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.087 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -102.37 -3.02 27.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.59 0.709 . . . . 0.0 109.327 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -115.3 33.96 5.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.71 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.694 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.8 OUTLIER -53.33 -54.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.846 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.1 m-85 -59.36 -39.54 83.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.757 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.13 -32.91 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.37 0.605 . . . . 0.0 109.605 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -36.79 76.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.497 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.4 pt -81.06 -20.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.88 27.8 4.45 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.772 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 17.1 mm -68.42 142.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.903 0.351 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.2 132.94 48.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.1 OUTLIER -65.29 -24.07 67.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.227 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.1 m -69.86 -14.76 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.331 . . . . 0.0 111.686 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 626' ' ' TYR . 2.7 mtpt -123.72 -4.03 8.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 4.8 tp -54.06 -44.8 71.4 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.34 85.83 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.047 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -62.16 -37.13 84.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.16 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.581 ' HD1' HD12 ' B' ' 582' ' ' ILE . 24.2 m-85 -68.85 -50.61 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.552 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -63.61 -33.3 75.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.075 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.38 -51.5 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.505 0.669 . . . . 0.0 109.325 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 629' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' B' ' 566' ' ' VAL . . . -69.13 -43.0 75.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.187 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.694 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -55.72 -49.31 73.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.456 0.702 . . . . 0.0 112.693 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.495 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.9 mm? -64.83 -44.46 89.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.828 0.347 . . . . 0.0 110.64 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 14.6 m -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.367 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' B' ' 566' ' ' VAL . 29.2 t80 -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.85 -40.78 89.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.706 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -61.31 -45.05 96.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.477 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 567' ' ' SER . 22.5 mt -64.1 -44.85 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -59.44 -47.57 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.523 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 5.2 tp10 -63.35 -36.69 84.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.745 0.307 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.7 -24.95 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.335 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.83 67.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 641' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.26 -6.02 42.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.611 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 mp -72.65 131.07 84.73 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.412 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 643' ' ' PRO . . . . . 0.45 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 94.0 Cg_endo -94.11 -140.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.291 2.661 . . . . 0.0 110.935 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.45 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.826 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 1.7 t80 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.604 0.716 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.52 145.55 31.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.13 147.83 36.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.01 127.37 43.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.19 119.27 20.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.0 110.057 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 4.0 tp -112.16 139.87 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.31 122.54 34.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -114.72 141.47 47.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.735 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -73.44 157.42 36.9 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -48.15 80.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.61 -44.5 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.39 -30.0 64.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.972 0.415 . . . . 0.0 111.679 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 537' ' ' LEU . 93.6 t80 -55.33 -50.42 69.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.892 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.993 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.82 -34.67 78.44 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.069 0.461 . . . . 0.0 111.147 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -66.01 -44.97 83.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.28 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' B' ' 548' ' ' PHE . 57.7 t -71.21 -42.33 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.095 0.474 . . . . 0.0 111.912 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.26 -49.89 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.964 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -67.63 -34.79 77.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.992 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.442 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 0.8 OUTLIER -59.29 -48.7 80.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.945 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 24.5 mt -71.3 -30.47 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 0.0 111.279 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.55 77.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.219 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.3 mmt85 -68.82 -38.43 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.22 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.86 -40.52 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.231 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.2 58.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.032 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.93 -36.7 35.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 27.9 m -100.5 157.01 34.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.546 ' HB3' ' HG2' ' A' ' 564' ' ' GLN . 35.9 Cg_endo -68.62 127.77 16.04 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.827 1.684 . . . . 0.0 108.169 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 557' ' ' ARG . 9.7 ttm-85 -166.62 -26.65 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.839 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' TYR . . . . . 0.416 ' CB ' HG13 ' A' ' 561' ' ' VAL . 20.6 m-85 -97.89 142.09 30.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.099 0.476 . . . . 0.0 110.736 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -66.99 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.34 -26.18 62.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 558' ' ' TYR . 2.1 p -113.41 110.62 50.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.262 0.553 . . . . 0.0 110.641 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 5.2 Cg_exo -75.37 75.03 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.481 2.787 . . . . 0.0 111.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -36.57 84.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.059 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' A' ' 556' ' ' PRO . 0.0 OUTLIER -55.24 -39.56 69.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.5 p -85.48 -29.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.491 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.613 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.52 -39.62 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.036 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.471 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.9 OUTLIER -71.35 -16.11 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.539 . . . . 0.0 110.469 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -21.81 39.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.204 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -83.84 146.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.322 0.582 . . . . 0.0 111.295 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.731 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.1 mm? -102.6 131.96 21.82 Favored Pre-proline 0 C--N 1.314 -0.977 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.731 ' HD2' HD13 ' A' ' 570' ' ' LEU . 13.5 Cg_endo -60.94 -8.26 9.37 Favored 'Trans proline' 0 C--N 1.335 -0.156 0 C-N-CA 122.17 1.913 . . . . 0.0 111.512 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 54.5 p -80.29 -14.16 58.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.12 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.3 OUTLIER -99.93 12.01 37.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.203 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 88.99 -157.64 27.37 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.495 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -116.94 -3.02 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 0.0 110.437 -179.636 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.57 -44.76 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.599 -179.075 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.477 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.67 -41.58 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.736 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -66.57 -36.15 81.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.648 178.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 84.4 m -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.858 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.76 -44.06 81.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.362 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 5.5 pt -90.72 7.86 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptt 60.76 35.44 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.843 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.15 47.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.76 68.93 1.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.475 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 176.2 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.919 0.866 . . . . 0.0 109.047 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.436 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.1 m-20 -71.26 -21.85 62.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.513 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.97 -25.43 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.41 -33.89 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.54 -38.89 88.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.681 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.525 ' CE1' HD11 ' A' ' 618' ' ' ILE . 60.7 m-85 -68.26 -43.83 76.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.263 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.25 -41.11 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.53 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.461 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.5 t30 -82.77 -15.09 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.998 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.43 11.79 55.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 3.9 mt -90.1 109.37 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.747 0.308 . . . . 0.0 111.439 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -168.81 21.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.681 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 172.88 10.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -80.04 134.34 36.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.776 -179.308 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.87 -40.38 2.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.436 ' HA ' ' HE ' ' A' ' 604' ' ' ARG . 0.0 OUTLIER -58.24 -44.44 88.28 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.998 0.519 . . . . 0.0 111.317 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.3 ttt -62.82 -47.07 85.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 0.9 OUTLIER -67.59 -41.18 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 604' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -61.89 -35.16 77.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.056 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 7.2 tp10 -64.92 -35.66 81.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.627 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.832 ' HA ' HD11 ' A' ' 612' ' ' ILE . 81.2 t80 -69.01 -38.45 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 109.655 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 79.4 mt-10 -69.18 -46.87 66.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.81 49.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m80 -111.13 -42.79 3.86 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 75.52 -47.34 0.59 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.992 0.517 . . . . 0.0 111.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -103.51 41.34 1.28 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 109.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.832 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -54.39 -59.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.549 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.8 m-85 -56.74 -43.0 80.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.374 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.1 OUTLIER -65.24 -39.75 93.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.135 0.493 . . . . 0.0 110.984 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 615' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -70.52 -43.04 70.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.525 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.471 HD11 HG12 ' A' ' 618' ' ' ILE . 40.9 pt -68.67 -24.3 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.41 24.51 4.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 119.759 -1.21 . . . . 0.0 113.745 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.525 HD11 ' CE1' ' A' ' 591' ' ' PHE . 13.2 mm -67.21 145.98 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.92 128.31 35.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.848 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -71.12 -25.59 62.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.136 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -16.8 64.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.055 0.455 . . . . 0.0 111.545 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 626' ' ' TYR . 17.2 mtmt -126.81 8.85 6.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.848 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.7 tp -53.39 -41.62 66.1 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.517 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -44.35 97.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -67.01 -38.45 85.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.504 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 39.4 m-85 -60.22 -52.86 63.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.25 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.25 -31.21 71.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.582 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.0 -51.86 62.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.701 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.31 77.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.066 0.46 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.749 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -59.18 -45.27 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.261 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.521 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -66.67 -40.84 88.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.619 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -43.26 88.07 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.144 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.613 ' HD1' HG13 ' A' ' 566' ' ' VAL . 1.8 t80 -60.64 -45.67 93.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.851 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -39.0 89.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.565 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 635' ' ' ARG . 0.6 OUTLIER -66.24 -45.55 80.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.836 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 567' ' ' SER . 20.8 mt -64.13 -43.58 97.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.1 -46.32 85.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -35.92 81.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.577 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.9 -24.34 67.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.337 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 11.3 mtp -68.23 -33.05 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -6.43 47.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.993 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -69.41 130.02 91.18 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.226 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.456 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 111.11 178.073 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.624 0 CA-C-O 121.458 0.646 . . . . 0.0 112.515 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 61.5 m -114.75 122.77 47.42 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.21 128.39 35.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.295 0.569 . . . . 0.0 111.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 126.19 53.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.007 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 102.87 14.41 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.29 0.567 . . . . 0.0 110.716 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.0 tp -89.84 149.74 22.53 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.607 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.06 121.87 33.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.764 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -112.69 129.88 56.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.611 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.521 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.1 OUTLIER -82.77 158.95 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -48.39 65.2 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.33 65.86 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.23 -29.52 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.15 0.5 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' B' ' 537' ' ' LEU . 58.7 t80 -55.6 -51.75 66.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.618 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.977 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.1 p -67.26 -33.69 75.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.467 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -45.5 79.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.767 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.508 HG21 HD11 ' B' ' 537' ' ' LEU . 54.2 t -71.02 -42.99 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.434 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' B' ' 638' ' ' GLU . 43.5 t -59.11 -50.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.33 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.7 mm-40 -69.45 -33.82 73.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.253 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.683 ' HE2' HG22 ' A' ' 545' ' ' VAL . 0.9 OUTLIER -59.51 -48.04 83.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.241 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.2 mt -72.1 -34.37 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.923 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.88 73.19 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.669 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.5 mmt180 -60.39 -48.53 81.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -33.06 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.09 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.652 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -76.92 -17.94 58.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.186 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -98.4 -44.79 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.943 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.94 127.74 37.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.672 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.624 ' HB3' ' HG2' ' B' ' 564' ' ' GLN . 11.1 Cg_endo -54.95 129.21 34.07 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.93 2.42 . . . . 0.0 111.957 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -149.6 -34.35 0.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.131 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.85 130.36 42.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.976 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -44.19 62.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.187 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -74.03 -36.28 64.4 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 6.2 p -113.64 110.83 49.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.184 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 3.8 Cg_exo -80.36 85.28 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.392 2.728 . . . . 0.0 111.394 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 563' ' ' THR . . . . . 0.465 ' HB ' ' HA ' ' B' ' 553' ' ' ALA . 0.9 OUTLIER -72.21 -26.2 61.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.926 -179.147 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -55.64 -47.16 77.1 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.1 p -71.04 -27.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.029 0.442 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.789 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.41 -36.97 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.483 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -74.3 -15.12 60.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.296 0.569 . . . . 0.0 110.154 179.397 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -16.69 50.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.649 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -79.93 139.46 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.696 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.672 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -89.63 118.09 68.71 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.672 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.6 Cg_endo -67.56 20.63 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.24 0 C-N-CA 123.087 2.525 . . . . 0.0 112.108 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.713 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 53.2 p -108.16 -13.11 14.99 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.315 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -50.72 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.622 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.53 -146.45 14.25 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.238 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.506 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -116.04 -3.77 12.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.489 0.185 . . . . 0.0 111.051 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -44.4 87.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 111.466 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.535 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.33 81.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.998 0.427 . . . . 0.0 110.098 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -47.3 86.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.77 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.501 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.1 OUTLIER -63.39 -42.29 98.79 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.808 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -61.84 -37.41 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.544 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.538 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.34 -36.86 71.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.078 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -102.39 9.44 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.021 -179.181 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.8 mttt 61.24 41.65 13.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.406 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.612 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -96.15 46.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.205 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.43 62.66 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.179 -0.534 . . . . 0.0 112.326 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -176.0 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.512 0.673 . . . . 0.0 109.667 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -21.9 62.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.577 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.28 -25.63 59.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.458 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.509 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -61.37 -33.88 58.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.509 HD22 HG12 ' B' ' 589' ' ' VAL . 1.1 mm? -66.15 -38.49 88.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.628 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.451 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 81.9 m-85 -67.34 -44.34 79.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -61.02 -37.7 83.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.82 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.08 96.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.057 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.494 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.8 t30 -80.69 -13.81 58.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.059 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.08 14.61 41.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.256 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.506 HG22 HD21 ' B' ' 575' ' ' LEU . 5.8 mt -95.53 92.68 3.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.5 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 11.1 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 173.6 10.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.119 0.485 . . . . 0.0 111.945 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.713 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 5.7 ptm -80.28 149.84 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.078 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.76 -34.17 2.33 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -47.84 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.581 0.352 . . . . 0.0 111.725 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.81 96.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -40.82 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.092 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -62.76 -45.34 93.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 18.0 mm-40 -65.26 -34.64 78.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.361 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.849 ' HA ' HD11 ' B' ' 612' ' ' ILE . 68.8 t80 -64.91 -38.72 91.9 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.595 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -74.56 -46.2 40.42 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -21.19 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.7 m-70 -122.32 -50.39 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.769 -0.582 . . . . 0.0 112.569 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.31 -33.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.507 0.723 . . . . 0.0 111.639 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 611' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 6.7 t0 -102.78 39.73 1.49 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.467 0.651 . . . . 0.0 109.655 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.849 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -62.74 -58.51 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.204 -178.171 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.8 m-85 -57.29 -40.81 78.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.629 ' HG2' HD11 ' B' ' 623' ' ' LEU . 1.1 mm-40 -66.43 -36.96 84.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.17 0.509 . . . . 0.0 110.235 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 615' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.6 -42.76 73.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.965 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.9 pt -70.88 -22.89 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.37 30.37 3.37 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.032 -1.08 . . . . 0.0 113.245 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.1 mm -66.64 145.56 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.95 129.05 38.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -38.61 84.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.9 m -70.5 -8.84 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.669 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.438 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.8 mtpt -122.79 -5.48 8.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.8 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' B' ' 614' ' ' GLU . 2.3 tp -55.31 -45.07 76.3 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.754 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' B' ' 628' ' ' GLU . 0.0 OUTLIER -60.03 -48.0 83.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.258 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.08 93.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.415 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.612 ' HE1' ' HB2' ' B' ' 584' ' ' ALA . 12.7 m-85 -65.98 -51.57 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 627' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 9.2 m-85 -64.86 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.301 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -60.14 -50.04 75.27 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.89 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.99 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.791 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.6 OUTLIER -60.42 -49.43 77.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.388 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.83 -43.51 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.519 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 56.8 m -60.39 -46.46 89.9 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.967 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.789 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.0 t80 -60.47 -44.63 95.69 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.338 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' B' ' 635' ' ' ARG . 5.1 mmt180 -65.88 -44.83 84.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.652 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.2 mt -59.42 -46.47 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 109.859 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -39.62 82.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.291 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HB3' HG11 ' B' ' 546' ' ' VAL . 1.7 mt-10 -68.64 -41.01 79.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.623 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.812 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.38 -24.93 67.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.8 mtt -66.81 -33.62 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 109.56 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -5.69 45.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.803 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.977 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.0 OUTLIER -79.29 133.64 60.1 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.905 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 643' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 11.7 Cg_exo -70.81 -63.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.374 2.049 . . . . 0.0 110.081 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' B' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.237 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.008 0.432 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.51 147.91 45.57 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.845 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.724 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 1.6 m-85 -93.26 140.86 29.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 0.0 111.195 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 533' ' ' ARG . 4.1 mtp-105 -121.81 126.33 48.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.78 116.84 27.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.48 HD11 ' NH2' ' B' ' 635' ' ' ARG . 20.6 tp -111.55 149.96 30.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.683 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.92 121.89 33.14 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -109.85 141.85 41.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.71 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -74.02 157.91 35.28 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.928 178.174 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.51 71.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.69 -40.76 76.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.442 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.16 -26.38 61.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.599 ' HB2' ' O ' ' A' ' 538' ' ' SER . 75.7 t80 -52.53 -49.82 64.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.377 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.937 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.7 p -66.27 -33.96 76.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.731 0.301 . . . . 0.0 111.299 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.99 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.62 -43.19 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.0 111.645 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.29 -50.5 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.914 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.79 -34.16 77.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.173 -178.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.2 t80 -59.09 -50.61 73.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.984 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.4 mt -71.57 -28.31 63.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.1 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.83 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 20.7 mmt85 -64.1 -47.32 80.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.13 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -67.93 -31.61 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.665 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -71.62 -33.74 69.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.419 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -82.73 -50.32 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 5.4 t -101.98 110.58 62.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.711 ' HG3' ' HB2' ' A' ' 564' ' ' GLN . 99.4 Cg_exo -34.02 126.43 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.121 3.214 . . . . 0.0 114.345 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.536 ' HB3' ' HB3' ' A' ' 552' ' ' GLU . 4.2 ttt180 -169.22 28.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.752 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -106.75 162.11 14.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.2 p -45.88 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.072 0.858 . . . . 0.0 113.149 -178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -144.3 51.89 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 0.0 110.543 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 629' ' ' ALA . 2.0 p -143.66 124.17 7.84 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.407 ' HB2' HG12 ' A' ' 565' ' ' VAL . 19.0 Cg_endo -60.73 94.76 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.139 2.559 . . . . 0.0 111.937 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.42 -32.12 26.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.352 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.711 ' HB2' ' HG3' ' A' ' 556' ' ' PRO . 1.5 tm0? -56.41 -45.09 80.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.199 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.9 p -73.59 -31.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.557 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.551 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.18 -39.92 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.366 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.14 -18.88 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.393 0.616 . . . . 0.0 109.897 179.076 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -86.09 -14.23 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.226 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 565' ' ' VAL . 68.8 mt -73.76 136.13 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.553 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -84.87 115.88 62.85 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.261 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.611 ' O ' ' HB2' ' A' ' 599' ' ' MET . 40.1 Cg_endo -67.76 22.36 0.12 Allowed 'Trans proline' 0 C--N 1.334 -0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.544 ' H ' ' C ' ' A' ' 570' ' ' LEU . 60.1 p -109.93 -16.79 13.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.371 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 577' ' ' ARG . 0.3 OUTLIER -85.46 -43.31 13.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.67 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 145.32 -133.94 5.3 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.0 OUTLIER -123.47 4.04 9.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.828 0.347 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.402 ' HG3' ' OE2' ' A' ' 573' ' ' GLU . 0.9 OUTLIER -57.05 -46.01 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.079 -179.643 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.502 ' HB2' ' OE2' ' A' ' 573' ' ' GLU . 0.0 OUTLIER -68.45 -37.23 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.661 0.267 . . . . 0.0 110.816 179.211 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.26 77.81 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.128 0.49 . . . . 0.0 110.126 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 85.8 m -70.49 -43.39 69.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.619 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.03 -45.22 75.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.121 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.562 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -86.93 1.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.938 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 40.39 30.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.668 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.458 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -58.98 -69.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.157 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 126.39 -127.41 6.04 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.635 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 26.58 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.56 -24.04 62.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 110.09 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -57.71 -25.29 60.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -61.82 -34.15 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -68.47 -38.92 81.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 596' ' ' ILE . 93.7 m-85 -67.33 -39.47 85.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.288 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.445 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.8 t-20 -62.35 -41.87 98.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.046 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.3 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.338 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.594 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.6 t30 -81.88 -11.44 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.382 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 87.31 23.75 39.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.293 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 591' ' ' PHE . 17.7 mt -83.73 -102.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.445 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 37.5 p90 49.26 0.56 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.38 171.67 7.69 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.719 -0.613 . . . . 0.0 111.813 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -80.46 149.64 30.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.681 179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.35 -41.0 2.01 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.479 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 604' ' ' ARG . 2.5 t70 -57.28 -43.96 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.5 ttp -61.49 -46.67 89.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.99 -40.23 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' ARG . . . . . 0.469 ' NH2' ' HG2' ' A' ' 605' ' ' GLU . 6.4 ttp85 -60.76 -47.14 87.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.217 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.469 ' HG2' ' NH2' ' A' ' 604' ' ' ARG . 9.2 mm-40 -62.01 -36.46 81.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.653 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.7 t80 -62.47 -45.08 94.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.641 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.45 -36.84 81.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -76.22 -25.24 54.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.152 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.2 -128.91 0.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 176.46 -35.46 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -106.26 41.26 1.45 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.838 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.653 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.1 mp -52.65 -56.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.46 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.6 m-85 -59.17 -39.62 83.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.26 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -38.29 88.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.227 0.537 . . . . 0.0 110.508 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -42.16 76.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.08 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.594 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.0 pt -70.76 -22.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.66 28.72 3.61 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.113 -1.042 . . . . 0.0 113.32 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 616' ' ' ILE . 17.8 mm -71.83 141.66 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.507 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 8.2 t0 -65.6 134.55 53.53 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.739 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.786 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -68.07 -28.25 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.533 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -17.15 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.132 0.491 . . . . 0.0 111.035 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 619' ' ' ASP . 35.0 mtmt -117.62 -3.94 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.756 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.786 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.3 tp -54.75 -44.44 73.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.793 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -48.23 82.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -61.15 -38.12 85.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.562 ' HD1' HD12 ' A' ' 582' ' ' ILE . 23.7 m-85 -69.43 -51.09 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.724 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 8.4 m-85 -65.66 -31.9 73.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.695 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -49.97 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -66.67 -34.42 77.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.699 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.472 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -58.39 -43.69 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.546 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.587 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -61.74 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.223 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -62.88 -46.87 85.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.757 -179.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.99 89.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.618 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -62.09 -39.77 93.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.091 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -66.13 -40.36 90.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 567' ' ' SER . 44.8 mt -61.45 -48.73 87.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.01 -42.81 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.844 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 638' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 546' ' ' VAL . 0.8 OUTLIER -62.51 -42.93 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.098 178.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -66.2 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.057 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 22.5 mtt -69.29 -31.35 69.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.459 0.647 . . . . 0.0 109.333 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 641' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -92.81 -6.35 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.703 -179.496 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.937 ' HG ' HG22 ' A' ' 543' ' ' THR . 0.6 OUTLIER -61.64 142.92 94.18 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.436 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 CA--C 1.529 0.23 0 C-N-CA 122.969 2.446 . . . . 0.0 112.723 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.693 ' CD1' ' HA ' ' B' ' 624' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 124.14 46.96 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.466 ' HE1' HD21 ' B' ' 631' ' ' LEU . 19.8 m-85 -87.67 129.22 35.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.208 0.527 . . . . 0.0 111.7 -178.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -125.55 134.36 52.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.832 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 119.18 24.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.147 0.499 . . . . 0.0 110.711 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.67 138.21 38.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.753 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.34 120.99 33.4 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.453 HD11 HG21 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -122.49 142.36 50.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.963 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.587 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -80.99 156.99 25.66 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -46.92 86.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.33 68.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -70.78 -28.06 64.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.179 0.514 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' B' ' 538' ' ' SER . 85.5 t80 -54.24 -50.16 67.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.196 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.63 HG22 ' HG ' ' B' ' 642' ' ' LEU . 40.7 p -61.44 -35.24 77.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -66.05 -44.89 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.453 HG21 HD11 ' B' ' 537' ' ' LEU . 48.1 t -70.84 -41.55 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' B' ' 638' ' ' GLU . 41.3 t -60.18 -50.77 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.811 ' HG3' ' HE3' ' B' ' 644' ' ' LYS . 0.0 OUTLIER -67.35 -31.36 71.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.974 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -58.37 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.686 ' HA ' ' HG3' ' B' ' 552' ' ' GLU . 17.4 mt -72.59 -29.48 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.319 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 550' ' ' ALA . . . . . 0.466 ' HB1' ' HE3' ' B' ' 554' ' ' LYS . . . -63.62 -33.16 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 15.5 mmt85 -65.58 -40.74 93.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.037 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.686 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.1 OUTLIER -68.02 -32.24 72.47 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.456 0.646 . . . . 0.0 109.605 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.71 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -75.84 -35.11 60.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.901 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HE3' ' HB1' ' B' ' 550' ' ' ALA . 34.4 mttt -73.32 -57.08 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 15.6 t -104.79 118.42 56.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.767 ' HD3' ' HB2' ' B' ' 564' ' ' GLN . 2.2 Cg_endo -43.98 126.61 6.2 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.679 2.919 . . . . 0.0 113.986 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 24.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.455 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 558' ' ' TYR . . . . . 0.594 ' HE1' ' HB2' ' B' ' 552' ' ' GLU . 5.7 m-85 -106.71 160.29 15.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.649 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 559' ' ' THR . . . . . 0.449 ' HB ' ' H ' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -75.32 -109.07 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.449 ' H ' ' HB ' ' B' ' 559' ' ' THR . 0.7 OUTLIER -83.84 46.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.64 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' B' ' 558' ' ' TYR . 2.2 p -158.21 125.15 2.59 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.865 0.364 . . . . 0.0 110.997 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.511 ' HG2' ' O ' ' B' ' 581' ' ' ALA . 27.1 Cg_exo -63.95 147.81 91.83 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.02 2.48 . . . . 0.0 111.551 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 563' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -135.02 -43.3 0.73 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.777 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.767 ' HB2' ' HD3' ' B' ' 556' ' ' PRO . 19.7 tt0 -58.61 -43.49 89.6 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.518 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.4 p -66.92 -29.84 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.051 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.527 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.83 -40.23 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.517 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.97 -16.64 62.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.527 0.679 . . . . 0.0 109.926 179.384 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.91 -17.14 41.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.308 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 11.2 mt -79.79 137.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -83.54 121.32 76.44 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.36 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.722 ' HD2' HD13 ' B' ' 570' ' ' LEU . 23.1 Cg_endo -65.11 9.83 0.16 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.496 2.13 . . . . 0.0 112.161 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 28.5 p -108.35 -6.07 16.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.02 -62.43 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.289 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 165.15 -155.42 26.79 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.1 OUTLIER -116.73 -6.94 11.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.911 0.356 . . . . 0.0 110.556 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -40.55 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.441 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.26 -37.18 86.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.276 0.56 . . . . 0.0 109.584 178.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 578' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' B' ' 575' ' ' LEU . 61.9 t80 -63.5 -45.27 91.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.666 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -42.43 96.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.868 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 44.7 m -61.41 -39.18 89.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.034 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -58.72 -45.69 89.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.633 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.453 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.5 pt -86.77 6.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.829 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.34 37.54 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -66.25 -67.6 0.43 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.48 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 94.27 -98.43 2.32 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.817 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -82.85 4.59 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.502 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 7.6 m-20 -70.8 -24.77 62.63 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.228 -0.295 . . . . 0.0 111.461 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.426 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.53 -26.56 65.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 0.0 110.774 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -60.98 -33.66 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.363 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' B' ' 589' ' ' VAL . 1.0 OUTLIER -66.71 -37.95 85.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.252 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.516 ' HA ' HD12 ' B' ' 596' ' ' ILE . 87.7 m-85 -68.24 -42.32 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.017 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -58.81 -43.56 90.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.923 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.29 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.695 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.596 ' HB2' HG22 ' B' ' 616' ' ' ILE . 2.6 t-20 -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.12 15.84 46.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.502 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 591' ' ' PHE . 9.8 mt -83.15 -101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 597' ' ' TYR . . . . . 0.504 ' HA ' HD11 ' B' ' 575' ' ' LEU . 17.8 p90 51.79 -3.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 598' ' ' THR . . . . . 0.417 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.21 171.24 7.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.24 0.543 . . . . 0.0 111.878 -179.239 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -80.86 145.39 31.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.488 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.3 -37.63 2.41 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.454 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.88 -40.86 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.221 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.416 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.4 mt -68.42 -42.91 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.549 ' NH2' ' HG2' ' B' ' 605' ' ' GLU . 4.5 ttp85 -61.53 -40.25 93.98 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.956 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.549 ' HG2' ' NH2' ' B' ' 604' ' ' ARG . 7.1 mm-40 -63.46 -38.55 91.56 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.146 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.709 ' HA ' HD11 ' B' ' 612' ' ' ILE . 79.3 t80 -67.26 -37.49 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.101 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.8 -43.73 78.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -77.04 -41.34 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.498 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 5.4 m-70 -105.87 -132.98 0.32 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.974 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 0.4 OUTLIER 168.0 -33.84 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -98.49 27.27 4.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.338 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -51.17 -61.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.407 -178.714 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.404 ' HA ' HG12 ' B' ' 616' ' ' ILE . 2.9 m-85 -58.07 -39.64 79.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.422 . . . . 0.0 111.097 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.41 94.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.241 0.544 . . . . 0.0 110.772 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -40.9 73.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.016 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.3 pt -68.05 -25.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 617' ' ' GLY . . . . . 0.436 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.29 27.99 3.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.608 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.43 HG12 HD11 ' B' ' 616' ' ' ILE . 19.2 mm -66.05 147.34 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.496 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 14.0 t70 -62.83 121.01 12.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.948 0.404 . . . . 0.0 110.421 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.42 69.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -10.55 59.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.021 0.439 . . . . 0.0 111.338 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.568 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 34.6 mtpt -117.68 -4.96 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.675 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' B' ' 530' ' ' TYR . 3.7 tp -53.69 -43.73 69.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.418 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.693 ' HA ' ' CD1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.701 -178.648 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.516 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -63.4 -37.01 85.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.568 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 2.1 m-30 -67.34 -50.95 57.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 627' ' ' TYR . . . . . 0.401 ' CD2' ' HG ' ' B' ' 623' ' ' LEU . 7.7 m-85 -65.37 -32.7 74.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.2 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -50.56 73.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.06 80.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.568 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.3 OUTLIER -58.67 -45.07 90.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.31 178.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.518 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.2 mm? -66.77 -39.65 87.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.353 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.478 ' O ' HG13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -63.87 -45.67 88.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.658 0.266 . . . . 0.0 110.342 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -60.68 -42.88 97.98 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.977 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.86 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.48 ' NH2' HD11 ' A' ' 535' ' ' LEU . 11.3 mmp_? -66.02 -43.71 86.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.418 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.71 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -59.64 -49.08 85.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.583 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.248 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.447 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.1 tt0 -67.58 -41.21 84.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.291 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -64.46 -31.81 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.357 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 640' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 4.3 mtm -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.509 0.671 . . . . 0.0 109.543 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -5.08 41.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.314 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' B' ' 639' ' ' ALA . 0.5 OUTLIER -65.26 130.68 94.83 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.044 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.3 111.0 2.15 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.576 2.184 . . . . 0.0 111.755 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.811 ' HE3' ' HG3' ' B' ' 547' ' ' GLU . 1.2 mttm . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.493 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.663 ' CD1' ' HB2' ' B' ' 538' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.702 0.763 . . . . 0.0 111.536 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.44 138.88 58.68 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.143 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 26.8 m-85 -104.49 131.75 51.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.178 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 126.58 37.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' THR . . . . . 0.809 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -86.2 103.94 15.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.586 HD13 ' HE1' ' B' ' 542' ' ' TYR . 1.2 tp -88.91 150.36 22.89 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.924 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.68 119.73 31.16 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.378 0.609 . . . . 0.0 109.873 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -120.4 134.03 55.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.915 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 156.92 38.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -39.91 79.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.8 69.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.53 -29.45 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 111.225 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.8 t80 -55.36 -46.81 76.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.319 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' THR . . . . . 1.021 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -64.12 -33.96 76.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.323 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -65.67 -42.41 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.499 HG22 HD11 ' B' ' 549' ' ' LEU . 88.7 t -70.31 -43.22 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 0.0 111.224 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.52 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 44.5 t -60.77 -49.57 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -65.86 -32.38 73.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.055 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.637 ' HE2' HG22 ' B' ' 545' ' ' VAL . 2.7 t80 -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.745 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.3 mt -71.17 -27.2 63.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.422 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 41.3 mmt-85 -62.96 -48.59 78.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.275 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.52 -39.37 90.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.05 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.16 -19.33 56.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.265 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -87.03 -29.19 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.605 0.24 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.97 153.12 49.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 111.563 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.61 127.0 11.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 N-CA-C 108.432 -1.411 . . . . 0.0 108.432 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.83 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.013 0.435 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.47 123.33 37.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -23.9 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.46 0.648 . . . . 0.0 109.277 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -72.23 -42.82 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.449 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.3 p -122.87 113.1 30.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.066 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 17.3 Cg_exo -66.84 81.17 0.34 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.117 2.544 . . . . 0.0 113.318 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.413 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -88.63 -25.81 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.983 0.42 . . . . 0.0 110.846 179.525 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.41 ' HG3' ' H ' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -60.75 -46.84 88.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.063 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 581' ' ' ALA . 12.8 p -75.16 -21.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.278 0.561 . . . . 0.0 110.191 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -68.44 -37.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.634 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -73.72 -14.29 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.685 0.755 . . . . 0.0 110.157 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -82.07 -5.77 58.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 2.2 mt -98.83 145.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 111.535 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.592 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -104.63 123.2 41.01 Favored Pre-proline 0 N--CA 1.441 -0.923 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 599' ' ' MET . 22.9 Cg_endo -60.76 -6.42 5.87 Favored 'Trans proline' 0 C--O 1.226 -0.12 0 C-N-CA 122.696 2.264 . . . . 0.0 112.058 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 73.0 p -80.53 -16.45 54.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.812 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -15.3 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 119.16 -164.17 13.24 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.144 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.491 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -110.33 -1.73 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -44.5 73.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.503 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.21 -36.43 79.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -59.9 -42.84 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.3 OUTLIER -66.81 -41.16 87.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.5 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 49.9 m -62.62 -39.51 94.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 110.494 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.0 -40.73 73.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.628 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 10.1 pt -95.45 7.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.43 42.18 18.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.244 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -81.81 -74.79 0.32 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.74 -64.67 2.96 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.204 -0.522 . . . . 0.0 114.234 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -75.71 -19.72 58.89 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.516 -0.403 . . . . 0.0 111.969 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.456 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 11.3 m-20 -73.82 -25.34 60.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.703 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.48 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -59.85 -26.17 65.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 110.979 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.494 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.37 -33.44 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.494 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.75 -36.97 83.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.579 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.48 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 90.9 m-85 -68.33 -38.3 81.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.395 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.6 t-20 -62.24 -41.34 98.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.597 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.42 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.189 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.58 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.0 t30 -81.74 -10.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.068 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.53 27.77 46.22 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.253 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.58 HG13 ' HB3' ' A' ' 594' ' ' ASN . 22.3 mt -85.19 -106.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.771 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.9 p90 47.74 10.44 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 172.05 11.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.169 0.509 . . . . 0.0 112.361 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.704 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.52 142.77 32.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.794 -179.686 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.86 -47.64 3.58 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.237 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -46.45 88.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.777 0.322 . . . . 0.0 111.377 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.49 ' SD ' HD22 ' A' ' 575' ' ' LEU . 0.1 OUTLIER -63.75 -44.03 94.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.435 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.8 mp -67.85 -40.81 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -62.61 -44.33 96.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.177 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.9 mm-40 -63.33 -36.12 82.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.187 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.67 ' HA ' HD11 ' A' ' 612' ' ' ILE . 50.6 t80 -67.09 -38.72 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.34 -39.05 78.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -76.22 -32.18 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.196 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.438 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 9.1 m-70 -116.48 -139.73 0.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.006 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.438 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.8 OUTLIER 176.63 -22.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.239 -1.346 . . . . 0.0 107.463 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -111.44 33.84 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.808 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.692 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -57.55 -54.3 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.347 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.84 -39.39 84.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.487 ' HG3' HD21 ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.52 -37.63 85.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.406 0.622 . . . . 0.0 110.052 178.492 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.43 78.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.148 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 594' ' ' ASN . 47.1 pt -69.45 -25.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.499 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.457 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 113.73 29.8 2.77 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.831 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.5 mm -65.91 146.1 13.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.489 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 10.6 t70 -64.25 130.52 44.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.65 72.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.716 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -12.8 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 0.0 111.411 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.678 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 13.6 mtpt -119.93 -9.38 9.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 614' ' ' GLU . 8.1 tp -53.51 -45.56 69.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -45.18 92.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.339 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.628 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 1.4 tttt -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.678 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.6 m-30 -68.66 -41.7 78.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.964 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.64 -33.62 76.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.462 ' HB3' HG21 ' A' ' 561' ' ' VAL . 0.1 OUTLIER -62.0 -49.44 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.067 0.46 . . . . 0.0 110.176 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.95 78.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.692 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -62.28 -48.32 80.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 3.2 mm? -61.52 -45.49 94.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.851 0.358 . . . . 0.0 111.827 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.734 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 5.5 m -67.55 -36.04 80.21 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 35.1 t80 -61.75 -41.34 97.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 634' ' ' TYR . . . . . 0.435 ' HE1' HG23 ' A' ' 603' ' ' ILE . 72.6 t80 -59.93 -38.45 82.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.092 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.745 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -67.78 -45.29 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 567' ' ' SER . 55.1 mt -60.89 -45.91 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.97 0.414 . . . . 0.0 110.184 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.456 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 3.7 tm0? -58.98 -42.65 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -36.18 75.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.9 -27.4 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.7 mtt -67.73 -33.12 74.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.555 0.693 . . . . 0.0 109.53 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -5.99 45.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 1.021 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.1 tp -70.57 128.25 91.24 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.377 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.547 2.165 . . . . 0.0 111.199 178.76 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' B' ' 624' ' ' SER . 1.2 p90 . . . . . 0 N--CA 1.447 -0.603 0 CA-C-O 121.173 0.511 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.98 134.24 56.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.396 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.62 ' HE2' HD21 ' B' ' 631' ' ' LEU . 3.0 m-85 -88.58 136.18 33.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.936 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.15 132.63 51.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.19 101.39 13.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.125 0.488 . . . . 0.0 110.602 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 542' ' ' TYR . 20.1 tp -93.08 137.2 32.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.231 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.809 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.19 121.66 33.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.559 0.695 . . . . 0.0 111.026 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.617 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 1.3 mm? -119.64 120.91 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.781 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.663 ' HB2' ' CD1' ' A' ' 530' ' ' TYR . 9.6 p -81.4 155.94 25.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -30.36 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.78 -48.21 60.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 545' ' ' VAL . 7.5 mt-10 -83.19 -29.61 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.617 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 69.9 t80 -54.4 -52.4 61.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.753 ' HA ' HD21 ' B' ' 642' ' ' LEU . 15.1 p -61.39 -35.57 77.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -67.34 -44.86 78.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.637 HG22 ' HE2' ' A' ' 548' ' ' PHE . 30.6 t -71.92 -43.6 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.908 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.5 t -59.35 -50.99 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.264 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.1 mm-40 -68.77 -33.43 73.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.385 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 3.2 t80 -61.1 -50.8 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.647 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.53 -26.92 62.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.11 80.05 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 24.5 mmt85 -63.39 -48.15 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.378 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.929 ' HA ' HH12 ' B' ' 557' ' ' ARG . 4.0 mm-40 -66.08 -33.15 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.415 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.483 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.38 -23.21 50.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.586 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.408 ' HE2' HG23 ' B' ' 636' ' ' ILE . 16.1 mttt -86.41 -54.04 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.85 124.23 90.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.841 ' HD3' ' HG3' ' B' ' 564' ' ' GLN . 18.3 Cg_endo -59.13 125.49 18.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.058 1.838 . . . . 0.0 112.013 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 557' ' ' ARG . . . . . 0.929 HH12 ' HA ' ' B' ' 552' ' ' GLU . 0.0 OUTLIER -150.72 13.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.47 124.56 21.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.134 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -24.14 15.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.556 . . . . 0.0 109.545 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' B' ' 625' ' ' LYS . 29.6 t90 -69.14 -42.91 75.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.039 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -129.36 117.51 18.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.95 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.09 95.74 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.959 2.439 . . . . 0.0 111.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -37.28 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.452 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.841 ' HG3' ' HD3' ' B' ' 556' ' ' PRO . 2.9 tm0? -58.57 -43.34 89.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.957 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 581' ' ' ALA . 13.1 p -69.14 -31.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -69.12 -41.28 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.635 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.13 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.519 0.676 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.78 -18.7 43.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.721 HG12 ' HD2' ' B' ' 577' ' ' ARG . 13.3 mt -82.61 144.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.198 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -97.61 123.27 52.68 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.192 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.738 ' HD2' HD13 ' B' ' 570' ' ' LEU . 29.4 Cg_endo -65.98 13.29 0.12 Allowed 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.96 2.44 . . . . 0.0 112.146 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.559 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.7 p -107.91 -8.48 15.94 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.259 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 573' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 3.5 mt-10 -92.35 -49.78 5.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.544 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.67 175.71 27.0 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.758 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.2 OUTLIER -92.61 -12.72 30.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 0.0 110.7 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 576' ' ' GLU . . . . . 0.477 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -56.5 -43.28 79.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.322 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.721 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.22 -37.43 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.079 178.272 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.35 -45.75 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.024 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -42.82 97.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.204 0.526 . . . . 0.0 109.772 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 74.4 m -65.95 -40.37 91.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.889 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.99 -40.96 74.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.718 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.561 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.6 OUTLIER -92.44 1.9 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.248 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 22.7 mttt 59.59 41.62 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.065 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.427 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -65.36 -70.31 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 117.02 -124.58 6.2 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.288 -0.958 . . . . 0.0 114.241 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -72.46 8.27 1.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.427 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 38.1 m-20 -69.62 -24.84 63.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -26.17 63.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.903 0.382 . . . . 0.0 110.548 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -61.43 -34.03 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.298 179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -67.62 -38.8 84.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.29 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.414 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 90.8 m-85 -67.56 -38.74 84.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.775 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -61.49 -38.34 86.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.01 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.489 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.802 ' HB2' HG22 ' B' ' 616' ' ' ILE . 7.7 t-20 -79.65 -8.51 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.355 0.598 . . . . 0.0 110.82 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 85.32 18.94 59.66 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.986 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.599 HG13 ' HB3' ' B' ' 594' ' ' ASN . 9.5 mt -79.72 -106.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 597' ' ' TYR . . . . . 0.519 ' HA ' HD11 ' B' ' 575' ' ' LEU . 23.8 p90 51.62 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.58 172.99 6.56 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.33 0.586 . . . . 0.0 112.552 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.119 -178.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.51 -39.15 2.12 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.517 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.28 -36.44 73.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.527 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -63.68 -45.0 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.527 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.0 OUTLIER -69.23 -40.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 109.808 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -63.07 -46.43 87.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.486 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 19.8 mm-40 -64.84 -33.86 76.99 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.803 ' HA ' HD11 ' B' ' 612' ' ' ILE . 74.6 t80 -65.62 -38.77 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.425 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.41 -45.31 76.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.712 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -77.54 -37.25 51.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.344 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.8 m-70 -102.14 -64.34 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.55 -29.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.125 0.89 . . . . 0.0 109.175 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 611' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 609' ' ' HIS . 53.2 p-10 -105.34 27.14 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.652 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -54.64 -57.57 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.911 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -38.55 84.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.137 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -43.15 72.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.609 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.6 pt -70.39 -21.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.71 28.3 4.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.58 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 15.1 mm -66.81 145.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.31 138.69 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.688 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.93 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.429 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -9.12 17.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.584 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.9 mtpt -119.08 -11.99 9.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.348 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.74 -45.01 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.765 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.401 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -59.61 -41.7 90.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.546 ' HB2' ' CZ3' ' B' ' 560' ' ' TRP . 0.3 OUTLIER -65.4 -40.43 93.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.72 -179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.584 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 25.1 m-85 -66.29 -48.46 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.961 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -64.17 -31.8 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.098 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -62.88 -51.47 66.88 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.87 81.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.225 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.479 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -59.21 -49.38 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.899 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.6 OUTLIER -61.51 -44.56 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.119 0.485 . . . . 0.0 110.043 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 15.5 m -61.27 -46.8 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.511 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -64.17 -40.5 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.077 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -59.73 -38.92 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.937 0.398 . . . . 0.0 110.324 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.647 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -67.9 -43.41 79.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.395 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 633' ' ' PHE . 19.8 mt -62.58 -48.06 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 110.493 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.98 -41.83 88.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.348 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.8 OUTLIER -67.51 -39.6 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.43 -25.94 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.313 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.4 mmm -67.57 -34.8 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.557 0.694 . . . . 0.0 109.993 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -5.92 43.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.187 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 543' ' ' THR . 4.9 tp -73.84 119.65 77.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.657 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.81 -105.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.721 2.281 . . . . 0.0 111.378 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.345 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.461 ' HE2' ' CB ' ' B' ' 538' ' ' SER . 1.3 t80 . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 121.151 0.5 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.36 142.26 46.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.152 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.664 ' HE2' HD21 ' A' ' 631' ' ' LEU . 20.1 m-85 -115.63 157.03 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -145.92 126.6 14.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.937 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.04 106.09 18.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.07 0.462 . . . . 0.0 110.722 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 26.4 tp -92.48 147.55 22.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.721 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.6 121.76 33.56 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.892 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -111.02 144.49 40.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.406 -178.781 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.749 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -71.28 156.89 39.0 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.864 178.114 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -52.56 35.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.47 84.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.196 0.522 . . . . 0.0 112.17 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.408 ' CD ' HH22 ' B' ' 635' ' ' ARG . 9.5 mt-10 -79.37 -25.96 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 538' ' ' SER . 71.0 t80 -53.4 -45.97 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.72 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' THR . . . . . 1.039 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -65.42 -34.53 78.51 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.862 0.363 . . . . 0.0 111.539 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -66.91 -42.83 84.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.507 HG22 HD21 ' B' ' 549' ' ' LEU . 44.3 t -70.31 -42.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.341 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 642' ' ' LEU . 44.8 t -60.68 -49.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.753 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -63.9 -35.5 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.077 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.569 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -61.22 -51.22 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.9 mt -68.25 -29.65 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.63 74.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.032 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 22.8 mmt85 -64.53 -49.25 72.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.397 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.425 ' CD ' ' HE ' ' A' ' 557' ' ' ARG . 3.6 mt-10 -68.0 -32.92 73.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.491 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.43 -19.41 56.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.021 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.36 -53.05 4.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.866 0.365 . . . . 0.0 111.155 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 1.7 m -80.83 160.69 65.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.228 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 18.8 Cg_endo -64.28 125.87 15.95 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 N-CA-C 109.146 -1.136 . . . . 0.0 109.146 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.425 ' HE ' ' CD ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -156.04 -41.72 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.03 0.443 . . . . 0.0 110.469 -177.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -88.87 122.47 32.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -19.78 21.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.867 0.365 . . . . 0.0 111.78 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -89.56 -49.73 6.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.927 0.394 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 628' ' ' GLU . 3.0 p -104.76 129.81 24.28 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 7.8 Cg_exo -73.45 89.45 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.055 2.503 . . . . 0.0 112.15 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 5.6 p -84.13 -36.25 23.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -56.18 -48.43 76.36 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.16 -28.54 41.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -70.49 -39.63 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.197 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.15 -14.7 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -15.21 57.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.983 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.652 HG12 ' HD2' ' A' ' 577' ' ' ARG . 5.3 mt -86.23 140.84 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -88.7 123.82 67.02 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.9 Cg_endo -67.79 15.62 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.532 ' H ' ' C ' ' A' ' 570' ' ' LEU . 48.2 p -107.64 -10.56 15.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.15 -122.62 0.08 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.71 16.02 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.766 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -92.56 -7.9 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.764 0.316 . . . . 0.0 110.29 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -37.09 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.652 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.92 -38.4 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.15 0.5 . . . . 0.0 110.347 178.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.08 -45.27 89.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.844 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.75 76.37 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.701 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 47.7 m -64.46 -41.24 96.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.822 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.91 80.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.778 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.465 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 1.9 pt -94.3 7.03 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.538 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER 59.67 40.14 20.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.52 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -82.34 -75.45 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.536 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.99 -64.92 2.66 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.933 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -81.26 -15.79 54.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.58 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 9.2 m-20 -69.06 -23.5 64.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -58.51 -26.09 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.04 -33.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.275 0.56 . . . . 0.0 110.326 179.08 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.468 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -67.64 -36.3 80.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.346 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.641 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 87.8 m-85 -67.56 -43.1 81.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.664 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.62 -32.5 69.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.98 99.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.225 0.536 . . . . 0.0 110.691 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.714 ' HB2' HG22 ' A' ' 616' ' ' ILE . 21.6 t-20 -79.48 -18.77 51.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.239 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 102.91 17.82 17.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.641 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 1.7 mt -99.03 105.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.797 0.332 . . . . 0.0 111.382 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.2 19.68 2.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.374 0.607 . . . . 0.0 110.078 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.89 153.16 40.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.15 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.466 ' HG3' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.58 163.63 21.35 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 88.19 -51.1 3.96 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -34.5 78.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 630' ' ' PHE . 7.5 ttp -60.4 -37.45 80.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.572 178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mt -68.32 -39.89 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.511 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.59 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.43 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 27.6 mm-40 -66.02 -34.72 78.74 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.943 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.939 ' HA ' HD11 ' A' ' 612' ' ' ILE . 91.1 t80 -65.31 -39.12 92.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.81 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.71 64.28 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.96 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -80.04 -20.88 44.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.601 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.9 m-70 -118.33 -66.97 1.02 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 38.3 t30 85.05 -31.13 0.06 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.188 0.93 . . . . 0.0 109.582 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -102.6 25.32 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.939 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -51.26 -56.69 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.777 -178.789 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.407 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.7 m-85 -57.7 -40.84 80.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.367 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -38.3 87.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.21 0.528 . . . . 0.0 110.397 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -42.8 68.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.005 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.714 HG22 ' HB2' ' A' ' 594' ' ' ASN . 41.4 pt -68.97 -23.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.416 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 109.48 30.4 3.58 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.799 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.64 146.85 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.7 t0 -63.8 124.22 20.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 4.7 m -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.975 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -6.08 52.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.593 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 25.0 mtpt -129.92 -2.08 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.614 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.5 tp -53.66 -44.65 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -41.24 89.85 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 0.2 OUTLIER -70.93 -37.16 72.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.981 0.42 . . . . 0.0 110.869 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.593 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.0 m-85 -68.26 -46.45 70.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.777 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.417 ' O ' HD23 ' A' ' 631' ' ' LEU . 6.8 m-85 -65.62 -34.8 79.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.799 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.6 OUTLIER -64.98 -50.96 64.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.19 87.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.742 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.58 -46.94 87.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.231 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.664 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.7 mm? -63.51 -44.57 93.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 13.1 m -58.47 -44.57 89.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.99 -38.45 82.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.069 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 5.6 mmt180 -66.87 -45.12 79.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.7 mt -61.67 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.29 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.13 -35.69 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.693 0.283 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.81 -29.03 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -31.55 72.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.526 0.679 . . . . 0.0 110.04 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -7.2 36.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.71 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 1.039 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -61.23 119.44 45.88 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.566 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 N--CA 1.46 -0.466 0 C-N-CA 122.973 2.449 . . . . 0.0 111.374 178.792 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.749 ' CE2' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 121.404 0.621 . . . . 0.0 111.487 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 59.1 m -121.9 130.66 53.53 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.657 ' HE1' HD21 ' B' ' 631' ' ' LEU . 55.1 m-85 -88.21 128.89 35.46 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.465 0.65 . . . . 0.0 111.293 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -108.04 127.18 53.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.589 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.88 100.79 4.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.176 0.512 . . . . 0.0 110.162 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.422 HD23 HD21 ' B' ' 537' ' ' LEU . 13.0 tp -87.03 138.2 31.7 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.644 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 121.54 33.38 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.457 HD11 HG21 ' B' ' 545' ' ' VAL . 0.4 OUTLIER -120.6 129.82 53.91 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.766 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.461 ' CB ' ' HE2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -83.38 158.05 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.278 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -47.97 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.99 67.38 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.48 -31.33 70.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.059 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.448 ' HD1' ' CB ' ' B' ' 537' ' ' LEU . 75.7 t80 -58.6 -52.85 63.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.144 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.79 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.6 OUTLIER -64.45 -34.31 77.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 544' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.98 -44.63 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.753 179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.457 HG21 HD11 ' B' ' 537' ' ' LEU . 45.1 t -69.93 -43.34 79.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.048 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.9 t -59.77 -49.48 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.147 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.2 OUTLIER -69.14 -35.92 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.727 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.608 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.0 OUTLIER -57.87 -50.9 71.75 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.665 0.269 . . . . 0.0 111.167 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.608 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 8.1 mt -71.15 -29.3 65.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.921 0.391 . . . . 0.0 110.665 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.37 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.049 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.9 mmt85 -64.54 -46.88 80.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.68 -33.13 74.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.258 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -78.87 -23.54 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.46 -53.38 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.061 0.458 . . . . 0.0 111.178 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.07 157.43 45.61 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 126.41 22.43 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 121.091 1.194 . . . . 0.0 109.233 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -36.04 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.082 0.467 . . . . 0.0 110.307 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.78 134.53 34.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -36.07 11.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.152 0.501 . . . . 0.0 111.168 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.403 ' HZ3' ' HA ' ' B' ' 625' ' ' LYS . 1.6 t90 -77.4 -77.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.467 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.1 p -80.52 128.08 73.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.333 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 8.8 Cg_exo -72.56 82.62 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.476 . . . . 0.0 112.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 1.9 p -79.41 -27.34 41.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.567 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -38.9 73.27 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.616 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.668 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -83.32 -27.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -66.67 -41.61 88.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.796 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.1 p -74.13 -19.01 60.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.92 -19.21 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.826 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -78.95 135.43 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.764 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -79.92 121.89 82.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.228 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' B' ' 570' ' ' LEU . 38.2 Cg_endo -68.59 21.03 0.14 Allowed 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 123.197 2.598 . . . . 0.0 112.205 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.6 p -108.92 -8.02 15.33 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.739 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -93.77 -124.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.179 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -136.71 173.83 21.89 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.903 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -75.32 -6.54 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.586 0.232 . . . . 0.0 111.138 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -41.19 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.126 0.488 . . . . 0.0 110.224 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.621 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.58 81.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.853 179.06 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -64.48 -47.56 78.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.209 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.66 94.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.214 0.53 . . . . 0.0 109.704 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 67.5 m -63.97 -44.41 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.066 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.668 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.19 -40.16 76.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.463 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' B' ' 626' ' ' TYR . 1.1 pt -92.87 6.25 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.128 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 56.67 41.64 28.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.493 0.663 . . . . 0.0 110.021 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.453 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -65.96 -61.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.309 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 122.26 -119.54 4.02 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 26.27 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.999 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.57 -22.51 65.26 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.103 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.541 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.92 -25.07 56.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.36 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -60.79 -33.44 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 121.327 0.584 . . . . 0.0 109.611 178.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 0.8 OUTLIER -71.29 -41.06 70.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.353 179.428 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.541 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 96.8 m-85 -66.45 -40.71 89.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.753 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.84 -37.74 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.441 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.62 91.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.822 ' HB2' HG22 ' B' ' 616' ' ' ILE . 5.1 t-20 -83.87 -13.15 54.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.77 49.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' B' ' 575' ' ' LEU . 6.4 mt -94.6 94.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.746 0.308 . . . . 0.0 110.422 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.76 21.52 3.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.123 0.487 . . . . 0.0 110.357 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.52 50.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.351 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.68 148.19 28.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.353 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.51 -50.93 4.11 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -40.34 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -39.48 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.67 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.51 -39.45 82.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.543 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -61.72 -39.93 93.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 36.4 mm-40 -64.8 -36.31 83.91 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.613 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.691 ' HA ' HD11 ' B' ' 612' ' ' ILE . 12.7 t80 -62.28 -45.33 93.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.74 -44.36 90.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.008 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -79.8 -18.34 51.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -112.88 -59.25 2.04 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.388 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 7.3 t30 80.41 -33.02 0.12 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.702 0.801 . . . . 0.0 110.446 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -109.16 26.7 10.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.2 OUTLIER -52.5 -59.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 113.063 -178.283 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.7 m-85 -58.38 -38.48 77.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 111.142 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.99 -37.09 81.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.269 0.557 . . . . 0.0 110.289 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 615' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 615' ' ' ARG . 0.0 OUTLIER -69.68 -41.36 75.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.55 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.7 pt -72.27 -23.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.45 30.35 3.35 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.97 -1.109 . . . . 0.0 113.454 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 616' ' ' ILE . 17.2 mm -69.38 142.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.58 128.31 35.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -62.47 -27.93 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.109 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -9.73 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -120.59 -10.77 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.486 . . . . 0.0 110.443 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 6.1 tp -53.89 -44.01 70.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.626 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.71 87.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.287 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.403 ' HA ' ' HZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.3 -35.92 82.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.139 0.495 . . . . 0.0 110.801 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.661 ' HD1' HD12 ' B' ' 582' ' ' ILE . 19.9 m-85 -67.14 -51.13 57.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.476 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 627' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 12.3 m-85 -64.75 -32.59 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.634 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.545 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.3 OUTLIER -61.95 -50.32 72.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.426 0.632 . . . . 0.0 109.624 178.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 629' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' B' ' 561' ' ' VAL . . . -67.94 -39.08 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.235 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -57.72 -49.58 76.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.911 179.521 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' B' ' 532' ' ' PHE . 3.1 mm? -64.34 -42.98 95.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.094 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 66.7 m -60.11 -46.64 88.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.799 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.4 OUTLIER -64.43 -41.64 96.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.489 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -59.95 -41.98 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.621 ' NH1' ' HB3' ' B' ' 631' ' ' LEU . 0.7 OUTLIER -61.87 -45.24 94.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.796 HD13 ' HB3' ' B' ' 567' ' ' SER . 21.7 mt -64.25 -46.62 92.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.68 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.23 -45.23 84.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.38 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.03 -37.13 67.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.55 -24.77 66.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.35 -39.75 92.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.621 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -92.76 -5.22 51.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.068 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.79 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.1 tp -62.12 117.29 28.29 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.438 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.94 59.18 4.62 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.025 2.483 . . . . 0.0 112.402 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.527 ' HD2' ' HB ' ' B' ' 543' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.772 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 121.513 0.673 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.8 148.39 51.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.722 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.682 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 8.4 m-30 -96.2 133.94 39.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.714 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -122.55 145.06 48.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.122 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 111.17 19.08 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.326 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' B' ' 542' ' ' TYR . 26.5 tp -95.97 137.87 34.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.54 120.36 32.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.181 0.515 . . . . 0.0 110.77 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -122.86 124.46 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.404 179.738 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 97.7 p -77.06 156.79 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -59.24 -27.31 65.66 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.88 61.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.927 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.1 OUTLIER -83.33 -29.62 28.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 546' ' ' VAL . 83.1 t80 -53.82 -43.98 69.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.418 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.795 HG22 ' HG ' ' A' ' 642' ' ' LEU . 6.7 p -68.31 -35.16 77.39 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.536 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.57 84.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.765 HG22 ' HE2' ' B' ' 548' ' ' PHE . 21.8 t -70.86 -42.64 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.693 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 542' ' ' TYR . 41.6 t -60.91 -49.1 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.361 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.4 OUTLIER -68.51 -34.65 76.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.197 -179.051 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.611 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.2 t80 -60.87 -51.84 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.9 mt -72.26 -25.85 61.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.563 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.0 76.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.5 mmt-85 -68.79 -39.5 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.529 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.8 -36.1 79.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.696 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.87 -32.0 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.448 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 567' ' ' SER . 27.8 mtmt -72.93 -60.25 2.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.099 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.414 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 19.6 t -80.66 120.42 79.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 1.4 Cg_endo -44.28 126.47 6.57 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 113.531 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.59 9.97 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -112.99 140.99 47.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -73.1 0.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.418 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.4 OUTLIER -73.07 -42.76 62.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.335 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.6 p -90.42 120.92 68.97 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 111.675 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.488 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 10.0 Cg_exo -72.37 98.39 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.204 2.603 . . . . 0.0 111.224 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -30.68 30.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.68 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.73 -49.07 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.134 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.38 -31.36 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.266 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.754 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -68.98 -39.73 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.681 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 554' ' ' LYS . 2.3 p -75.27 -14.06 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.528 . . . . 0.0 110.297 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -21.08 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -86.63 135.12 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.802 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.6 129.59 65.02 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.802 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.1 Cg_endo -66.41 15.45 0.11 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 112.876 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 570' ' ' LEU . 26.1 p -108.1 -0.72 20.95 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.203 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.04 -111.94 0.16 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.401 ' HA2' ' N ' ' A' ' 599' ' ' MET . . . -144.55 -167.72 12.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.716 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.473 ' O ' HD22 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -101.09 -1.46 34.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.911 0.356 . . . . 0.0 110.554 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -47.27 75.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.437 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -68.46 -37.83 80.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.497 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.67 -43.67 98.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -64.25 -41.55 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.342 179.501 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 83.0 m -61.57 -40.1 93.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.05 -38.31 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.321 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 625' ' ' LYS . 6.5 pt -100.36 5.06 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.735 0.303 . . . . 0.0 111.464 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.59 43.88 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -117.42 58.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.99 80.15 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.599 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -103.39 -25.05 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.529 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -74.51 -22.45 59.04 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.089 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.582 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -57.59 -25.9 60.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' A' ' 590' ' ' LEU . 1.0 OUTLIER -61.93 -33.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.523 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' A' ' 589' ' ' VAL . 1.4 mm? -64.78 -36.95 85.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 93.7 m-85 -67.76 -42.49 81.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -56.9 -36.87 70.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.311 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.21 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.432 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.505 ' HB2' HG22 ' A' ' 616' ' ' ILE . 2.9 t-20 -80.08 -11.63 59.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.584 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.67 22.24 26.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.951 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.617 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 3.7 mt -100.14 98.98 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.921 0.391 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.13 16.58 3.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.059 0.457 . . . . 0.0 110.749 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 150.4 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.738 ' SD ' ' HA ' ' A' ' 571' ' ' PRO . 1.3 ttt -82.49 152.35 26.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.6 -47.34 2.79 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.04 -38.86 90.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.497 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -63.99 -34.13 77.29 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.743 178.375 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.559 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.3 mt -68.11 -39.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -60.98 -41.5 96.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.393 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.4 -34.68 78.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.114 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.6 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.2 t80 -64.86 -36.54 84.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.786 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.35 -47.05 87.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.092 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.51 -40.83 28.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.342 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 94.5 m-70 -126.65 128.81 47.32 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.649 HD22 ' HD2' ' A' ' 532' ' ' PHE . 12.0 t30 -91.09 -11.57 38.22 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.552 0.691 . . . . 0.0 110.474 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.39 33.39 4.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.193 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -53.93 -57.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 112.028 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.462 ' CE2' ' HZ ' ' A' ' 591' ' ' PHE . 2.1 m-85 -58.92 -38.9 80.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.283 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.402 ' HG3' ' OH ' ' A' ' 627' ' ' TYR . 13.8 mt-10 -67.94 -36.45 80.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -42.1 74.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.51 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.505 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.2 pt -69.79 -25.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.571 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.76 35.52 2.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.596 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 591' ' ' PHE . 16.9 mm -67.14 145.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.7 125.37 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.533 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.79 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.64 -26.16 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.386 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.08 66.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.267 0.556 . . . . 0.0 110.551 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.519 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 29.6 mtmm -122.21 3.43 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.18 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.79 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 15.6 tp -59.87 -43.42 94.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.077 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -48.89 77.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.519 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.55 -33.68 76.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.101 179.389 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -52.7 63.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.05 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.682 ' HB3' ' HZ ' ' A' ' 532' ' ' PHE . 15.9 m-85 -66.2 -32.46 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.153 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -45.49 78.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.629 0.252 . . . . 0.0 110.505 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.35 77.87 Favored 'General case' 0 CA--C 1.524 -0.034 0 CA-C-O 121.251 0.548 . . . . 0.0 109.817 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.217 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.485 HD11 HD22 ' B' ' 537' ' ' LEU . 0.4 OUTLIER -66.29 -41.14 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.346 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.77 87.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.743 0.306 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.754 ' HD2' HG13 ' A' ' 566' ' ' VAL . 7.0 t80 -63.38 -39.0 93.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.248 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 634' ' ' TYR . . . . . 0.559 ' HE1' HG23 ' A' ' 603' ' ' ILE . 2.6 t80 -60.12 -38.21 82.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.88 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.2 OUTLIER -67.1 -45.43 77.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' A' ' 553' ' ' ALA . 16.1 mt -64.83 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.76 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.519 ' HG2' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.04 -46.96 82.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.272 -179.202 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 638' ' ' GLU . . . . . 0.496 ' HG3' HD13 ' A' ' 642' ' ' LEU . 5.5 tp10 -69.48 -35.78 75.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.749 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.43 -26.36 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.709 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.9 mtt -64.71 -41.76 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.218 0.532 . . . . 0.0 110.094 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -5.73 39.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.996 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.76 127.72 91.91 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.103 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 C-N-CA 123.16 2.574 . . . . 0.0 110.804 177.862 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.634 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 4.4 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 141.31 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.651 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.464 ' HE2' HD21 ' B' ' 631' ' ' LEU . 23.0 m-85 -87.05 146.52 26.06 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.143 0.497 . . . . 0.0 110.926 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.89 126.39 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.658 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.62 110.1 22.73 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.461 HD13 ' HE1' ' A' ' 542' ' ' TYR . 1.6 tp -106.73 140.31 39.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.335 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.85 121.59 33.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.221 0.534 . . . . 0.0 109.57 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.485 HD22 HD11 ' A' ' 631' ' ' LEU . 0.6 OUTLIER -115.37 143.09 45.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.23 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.644 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -74.43 154.72 38.64 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -36.07 67.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.876 0.762 . . . . 0.0 112.026 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.65 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.064 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.58 -31.53 47.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.318 0.58 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 535' ' ' LEU . 83.2 t80 -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.675 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.6 p -60.46 -35.67 76.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -44.51 87.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 549' ' ' LEU . 93.2 t -70.17 -43.24 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.289 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.99 -50.91 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -65.37 -34.46 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.742 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.765 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.4 t80 -59.36 -48.42 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.1 mt -71.6 -32.47 68.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.6 78.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.938 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 0.1 OUTLIER -62.78 -45.92 90.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.361 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.482 ' HA ' ' NH1' ' B' ' 557' ' ' ARG . 2.9 mt-10 -67.5 -32.47 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.91 -27.08 49.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.131 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.4 -47.25 14.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.124 0.488 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.611 ' HB ' HH11 ' B' ' 557' ' ' ARG . 58.7 t -84.91 131.21 49.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.7 ' HD3' ' HG2' ' B' ' 564' ' ' GLN . 10.1 Cg_endo -53.01 128.11 27.67 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.492 2.128 . . . . 0.0 112.127 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 557' ' ' ARG . . . . . 0.611 HH11 ' HB ' ' B' ' 555' ' ' VAL . 1.3 mpt_? -136.86 -32.74 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.91 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -105.67 151.01 24.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -48.51 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.709 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -28.92 66.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.699 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.511 HG23 HG22 ' B' ' 582' ' ' ILE . 7.5 p -120.79 96.74 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.418 0.627 . . . . 0.0 109.478 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.651 ' HB2' HG12 ' B' ' 565' ' ' VAL . 32.4 Cg_exo -58.73 106.91 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.822 2.348 . . . . 0.0 111.758 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -39.76 30.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.663 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.7 ' HG2' ' HD3' ' B' ' 556' ' ' PRO . 1.3 tm0? -58.62 -49.95 75.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.849 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' B' ' 562' ' ' PRO . 11.0 p -65.06 -31.3 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.74 HG13 ' HD2' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -67.06 -42.87 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.645 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.737 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -73.18 -13.75 61.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.473 0.654 . . . . 0.0 110.08 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.61 -14.66 54.39 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 4.3 mt -83.57 140.09 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.613 HD13 ' HD2' ' B' ' 571' ' ' PRO . 1.1 mm? -90.71 121.48 68.16 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.698 ' HB3' ' HE1' ' B' ' 633' ' ' PHE . 56.2 Cg_endo -69.72 27.89 0.18 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.229 2.62 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.482 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.8 p -108.86 -17.78 13.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.66 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.9 -110.95 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.43 -170.91 12.89 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.569 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.464 HD21 HG22 ' B' ' 596' ' ' ILE . 0.0 OUTLIER -98.74 2.72 47.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.643 0.258 . . . . 0.0 111.155 -178.591 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -46.75 76.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.073 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -38.37 90.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.372 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -63.42 -46.46 86.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.241 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.447 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.06 -40.53 96.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.479 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -61.09 -41.77 97.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.305 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.19 81.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.112 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.511 HG22 HG23 ' B' ' 561' ' ' VAL . 5.6 pt -94.97 6.39 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.52 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mttm 60.74 40.91 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.299 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -117.22 53.4 0.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.449 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -71.89 -6.95 64.9 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.961 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -17.16 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.504 0.652 . . . . 0.0 110.848 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.465 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.5 OUTLIER -73.85 -21.72 60.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.071 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.7 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.1 OUTLIER -57.19 -25.57 59.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.828 179.009 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -59.14 -33.23 49.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.296 0.569 . . . . 0.0 110.112 179.115 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -69.56 -35.62 75.56 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.647 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.7 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 95.9 m-85 -67.37 -43.13 82.18 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.634 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.99 -31.52 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.058 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.01 95.84 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.7 t30 -82.68 -10.04 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.39 20.21 35.96 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.185 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.464 HG22 HD21 ' B' ' 575' ' ' LEU . 6.5 mt -98.47 94.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 16.06 4.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.381 0.61 . . . . 0.0 109.663 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 149.32 40.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 2.3 mmt -83.17 139.67 33.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 116.13 -53.51 0.62 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.56 -35.69 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.16 0.505 . . . . 0.0 109.79 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.85 -43.51 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.008 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.48 -40.71 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.929 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -63.66 -44.16 94.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.99 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.22 -35.53 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.486 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' B' ' 612' ' ' ILE . 73.6 t80 -62.2 -38.84 90.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.707 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -37.59 80.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.604 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -76.61 -36.31 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.568 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -111.37 -134.92 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.614 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 175.49 -38.06 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -99.78 33.47 2.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.88 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 606' ' ' PHE . 1.1 mp -52.41 -57.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.66 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.422 ' CE2' ' HZ ' ' B' ' 591' ' ' PHE . 2.2 m-85 -60.99 -41.61 96.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.052 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.422 ' CG ' HD21 ' B' ' 623' ' ' LEU . 5.9 mt-10 -62.71 -40.24 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 0.0 110.596 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -43.08 73.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.765 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.564 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.8 pt -66.23 -25.3 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 617' ' ' GLY . . . . . 0.469 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 114.4 27.66 3.29 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.153 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' B' ' 591' ' ' PHE . 16.3 mm -65.91 144.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -64.65 121.66 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.067 0.46 . . . . 0.0 110.706 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.711 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.9 OUTLIER -62.14 -24.02 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.53 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -15.43 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.363 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 8.4 mtmm -117.69 -1.09 11.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 2.6 tp -55.6 -45.35 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.416 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.579 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -61.2 -48.93 79.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.389 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' B' ' 582' ' ' ILE . 0.0 OUTLIER -67.19 -33.69 75.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.384 0.611 . . . . 0.0 109.93 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.454 ' N ' ' HG2' ' B' ' 625' ' ' LYS . 0.2 OUTLIER -64.98 -53.67 42.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.208 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.82 -32.39 73.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 624' ' ' SER . 8.5 tp10 -58.75 -51.48 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.83 -44.34 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.148 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.407 ' HE2' HD13 ' B' ' 612' ' ' ILE . 2.4 t80 -57.49 -49.9 74.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 3.9 mm? -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.27 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 75.6 m -60.83 -41.6 96.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.068 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.74 ' HD2' HG13 ' B' ' 566' ' ' VAL . 7.0 t80 -60.83 -46.12 91.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.815 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.76 -39.04 90.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 631' ' ' LEU . 0.1 OUTLIER -64.66 -44.82 89.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.896 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' B' ' 567' ' ' SER . 54.2 mt -62.83 -44.88 99.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.098 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.18 -43.57 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.28 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' B' ' 641' ' ' LYS . 3.9 tp10 -65.62 -36.26 83.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.757 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.56 -26.33 67.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.814 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 16.9 mtt -67.4 -32.04 72.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.581 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 641' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -94.97 -8.64 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.858 179.349 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.757 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.5 tp -69.54 122.97 87.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.414 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.69 60.02 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.676 2.251 . . . . 0.0 111.365 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 121.161 0.505 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 133.31 40.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 7.2 m-85 -92.2 131.7 37.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.25 125.95 50.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 91.57 8.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.107 0.479 . . . . 0.0 109.796 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.34 147.71 22.85 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.183 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.85 122.49 35.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.804 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.4 mm? -117.64 130.12 56.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.435 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.557 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -73.27 157.88 36.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.196 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -46.97 -55.99 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.301 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.04 97.28 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.43 -33.63 73.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 0.0 110.259 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' B' ' 535' ' ' LEU . 71.1 t80 -62.84 -51.13 68.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.347 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.928 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -66.22 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.905 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -64.6 -43.63 93.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.4 ' CG2' HD11 ' B' ' 549' ' ' LEU . 69.9 t -71.34 -43.11 73.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 111.59 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 542' ' ' TYR . 54.4 t -60.79 -49.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.19 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -68.58 -34.82 76.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.558 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -59.0 -49.77 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.118 0.485 . . . . 0.0 110.695 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.4 mt -71.43 -26.99 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.248 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.79 82.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.465 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.3 mmt85 -67.95 -42.01 81.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.23 0.538 . . . . 0.0 110.23 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -67.38 -33.88 76.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.62 -24.86 49.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.523 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -81.41 -48.36 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.386 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.65 121.79 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.97 129.42 33.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.825 2.35 . . . . 0.0 112.608 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.72 22.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.877 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -126.19 139.32 53.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -10.4 10.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.569 0.7 . . . . 0.0 109.125 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.485 ' HH2' ' HB2' ' A' ' 624' ' ' SER . 34.8 t90 -92.93 -44.37 8.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.763 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.426 HG11 ' HG2' ' A' ' 628' ' ' GLU . 2.2 p -119.15 130.73 24.68 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.334 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 564' ' ' GLN . 3.3 Cg_exo -77.7 65.6 8.14 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.91 2.406 . . . . 0.0 112.453 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -72.51 -22.0 61.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 562' ' ' PRO . 0.0 OUTLIER -55.88 -48.56 75.36 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.96 0.409 . . . . 0.0 111.537 -179.322 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 569' ' ' ILE . 7.5 p -74.62 -25.85 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.38 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.742 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.53 -42.4 93.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.292 -179.148 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.606 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -71.17 -16.33 62.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.399 0.619 . . . . 0.0 110.21 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -84.26 -16.97 41.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.606 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 566' ' ' VAL . 15.5 mt -78.31 139.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.151 0.5 . . . . 0.0 111.22 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.724 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -95.03 119.93 65.11 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.414 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.724 ' HD2' HD13 ' A' ' 570' ' ' LEU . 58.5 Cg_endo -70.91 25.71 0.21 Allowed 'Trans proline' 0 N--CA 1.472 0.21 0 C-N-CA 122.993 2.462 . . . . 0.0 112.21 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 62.8 p -109.16 -16.68 14.04 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.693 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.5 -19.4 19.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 133.67 -147.12 18.92 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.571 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -121.88 3.56 9.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 110.032 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -45.83 77.3 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.746 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.431 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.04 -44.14 91.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.921 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -65.44 -38.94 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 20.5 m -65.51 -36.86 85.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.881 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.64 77.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.166 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 626' ' ' TYR . 19.6 pt -98.31 5.35 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.751 0.31 . . . . 0.0 111.297 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 40.62 12.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.751 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -112.46 54.29 0.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.251 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -72.89 6.76 11.36 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -108.7 -24.23 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.775 0.787 . . . . 0.0 110.562 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.25 -21.57 59.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.142 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.617 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.94 -25.42 57.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.228 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.537 HG12 HD22 ' A' ' 590' ' ' LEU . 1.6 p -60.05 -34.13 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.245 0.545 . . . . 0.0 109.932 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.537 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -66.36 -39.31 89.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 77.3 m-85 -67.7 -42.83 81.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.129 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -40.97 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.208 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.12 96.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.249 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.401 ' HB3' HG13 ' A' ' 596' ' ' ILE . 2.9 t-20 -82.57 -11.25 58.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.167 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.97 16.5 56.02 Favored Glycine 0 CA--C 1.511 -0.168 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.292 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.571 HG22 ' CD2' ' A' ' 575' ' ' LEU . 8.1 mt -93.98 106.4 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.93 0.395 . . . . 0.0 111.457 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -167.38 22.87 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.64 172.45 9.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.58 . . . . 0.0 112.317 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.22 135.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.883 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.91 -28.89 2.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.935 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -64.04 -46.13 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.747 0.419 . . . . 0.0 110.432 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.131 178.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.482 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.6 mt -68.06 -40.79 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.545 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.06 -44.8 91.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.64 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.482 ' HB3' HG12 ' A' ' 612' ' ' ILE . 63.9 mm-40 -61.8 -39.75 92.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.677 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.947 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.0 t80 -63.73 -42.51 97.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.756 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 20.3 mt-10 -70.54 -42.04 71.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -78.2 -28.7 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 610' ' ' ASN . 5.9 m-70 -122.93 -54.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 609' ' ' HIS . 35.8 m-80 79.13 -34.79 0.16 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.235 0.614 . . . . 0.0 109.9 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 609' ' ' HIS . 5.1 p-10 -94.5 20.43 8.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.947 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.3 OUTLIER -49.96 -58.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.29 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.465 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.0 m-85 -57.8 -44.11 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.989 0.423 . . . . 0.0 111.241 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 623' ' ' LEU . 1.1 mm-40 -63.47 -39.98 95.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.411 0.624 . . . . 0.0 110.467 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -70.47 -42.63 71.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.24 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.1 pt -67.31 -26.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.604 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.417 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.45 36.03 1.82 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.561 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.1 mm -67.44 144.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.802 0.301 . . . . 0.0 110.689 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 129.97 41.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.7 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -65.2 -26.79 68.29 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -177.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -22.12 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.107 0.479 . . . . 0.0 111.043 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.67 7.77 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.7 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 24.3 tp -61.9 -42.77 99.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.485 ' HB2' ' HH2' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -63.16 -48.25 79.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.4 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.45 -34.14 76.59 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.892 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -60.88 -52.28 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.599 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -66.74 -32.35 73.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.837 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG2' HG11 ' A' ' 561' ' ' VAL . 3.5 tp10 -61.89 -49.84 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.199 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.19 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.505 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -61.09 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.264 -179.186 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 631' ' ' LEU . 0.5 OUTLIER -58.67 -44.15 90.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.898 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 3.2 m -64.01 -41.33 97.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.327 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.742 ' HD1' HG13 ' A' ' 566' ' ' VAL . 10.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.705 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -61.87 -40.91 97.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -63.66 -45.37 90.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.606 HD13 ' HB3' ' A' ' 567' ' ' SER . 38.7 mt -62.78 -46.37 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 110.099 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -59.41 -44.31 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.582 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.446 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -59.2 -29.34 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.565 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 4.3 mtm -66.16 -34.93 79.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.663 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -5.55 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.706 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.928 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.6 tp -63.66 123.67 82.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.233 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 19.7 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 C-N-CA 122.992 2.461 . . . . 0.0 111.172 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.492 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.2 p90 . . . . . 0 N--CA 1.446 -0.626 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 148.75 30.7 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.71 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -115.61 137.33 52.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 533' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 5.5 mtp180 -131.23 141.61 50.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.331 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.56 143.14 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.697 0.284 . . . . 0.0 111.388 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.5 tp -133.96 140.45 46.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.84 124.19 36.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.536 0.684 . . . . 0.0 111.533 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -119.66 126.9 52.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.911 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 156.18 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -42.24 63.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.57 91.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.71 -29.37 36.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.768 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 546' ' ' VAL . 68.2 t80 -54.91 -51.59 65.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.047 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.713 HG22 ' HG ' ' B' ' 642' ' ' LEU . 9.3 p -62.12 -37.12 83.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.805 0.336 . . . . 0.0 111.735 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -66.38 -44.71 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.464 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.9 t -70.74 -41.49 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.26 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.6 t -59.79 -50.42 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.42 -39.03 93.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.696 -179.489 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.8 OUTLIER -58.81 -48.82 79.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.3 mt -71.29 -35.65 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.55 83.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.5 mmt180 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.551 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 548' ' ' PHE . 24.2 mm-40 -68.38 -32.59 72.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.569 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.65 -27.93 55.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.889 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -73.11 -32.68 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.614 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.35 112.76 59.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.583 ' HB3' ' HB3' ' B' ' 564' ' ' GLN . 20.7 Cg_endo -61.24 126.59 19.74 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.123 1.882 . . . . 0.0 112.857 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 8.59 4.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.187 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -130.65 125.72 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.645 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -14.32 26.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.686 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 8.7 t90 -70.33 -52.86 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.345 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.8 p -115.09 123.48 31.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.193 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 16.3 Cg_exo -68.17 85.07 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.11 2.54 . . . . 0.0 112.564 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.95 -19.08 22.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.17 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.583 ' HB3' ' HB3' ' B' ' 556' ' ' PRO . 4.3 pm0 -62.3 -47.59 83.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.807 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.5 p -78.72 -26.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.648 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.726 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -65.0 -39.43 85.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.431 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.535 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.83 -14.15 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.203 0.525 . . . . 0.0 110.793 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -87.87 -15.99 35.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.428 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.855 HG12 ' HD2' ' B' ' 577' ' ' ARG . 25.1 mt -76.24 137.73 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.301 0.572 . . . . 0.0 111.933 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.685 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -93.75 121.26 64.91 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 177.074 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.685 ' HD2' HD13 ' B' ' 570' ' ' LEU . 35.1 Cg_endo -66.99 15.43 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 122.955 2.437 . . . . 0.0 112.516 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.5 p -107.87 0.22 21.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -16.91 15.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.451 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 120.03 -151.07 17.44 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.546 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -115.03 -8.87 12.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.007 0.404 . . . . 0.0 110.735 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.59 74.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.926 0.393 . . . . 0.0 111.461 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.855 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.15 -37.05 83.73 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.152 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.78 -42.62 90.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.858 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -63.83 -44.4 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.359 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.5 m -62.03 -38.81 90.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.952 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.18 -42.4 77.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.194 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.592 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 4.9 pt -96.15 6.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.951 0.405 . . . . 0.0 110.674 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.87 41.78 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.715 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -111.88 54.06 0.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.182 0.515 . . . . 0.0 110.915 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.94 4.08 Favored Glycine 0 N--CA 1.454 -0.164 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.033 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -166.11 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.908 0.861 . . . . 0.0 108.868 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -21.07 60.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.165 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.89 -26.05 58.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.818 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.3 -33.44 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.301 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.71 -35.64 80.6 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.85 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 88.2 m-85 -67.44 -44.34 78.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.571 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.28 -35.29 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.206 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.87 83.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.437 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.624 ' HB2' HG22 ' B' ' 616' ' ' ILE . 2.1 t-20 -86.55 -8.07 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.57 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.3 21.58 31.99 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.387 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' B' ' 575' ' ' LEU . 5.3 mt -104.98 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.62 17.46 1.48 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.888 0.375 . . . . 0.0 110.587 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.96 172.55 8.86 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 5.9 ptp -81.08 134.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.341 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 83.24 -28.19 3.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.47 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -42.14 81.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.903 0.382 . . . . 0.0 110.554 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -38.79 90.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -68.14 -40.52 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 109.693 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -47.05 87.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.271 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.409 ' HB3' HG21 ' B' ' 612' ' ' ILE . 4.6 mm-40 -64.27 -35.55 81.21 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.039 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.601 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.7 t80 -66.77 -36.55 82.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.502 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.397 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -77.19 -40.42 45.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.381 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.78 144.84 51.24 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -1.85 20.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.775 0.797 . . . . 0.0 109.312 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -114.07 27.25 9.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -52.55 -60.73 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.932 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.511 ' HE2' ' CD1' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.89 -38.59 76.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.201 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -38.93 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.151 0.501 . . . . 0.0 110.299 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -69.88 -41.99 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.927 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.624 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.7 pt -69.78 -24.41 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.24 3.38 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.603 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.8 mm -67.53 143.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.92 0.36 . . . . 0.0 110.166 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.818 ' HB3' ' HD2' ' B' ' 622' ' ' LYS . 15.5 t0 -66.84 124.77 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.2 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.798 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -59.31 -28.64 66.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -17.97 65.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.462 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.818 ' HD2' ' HB3' ' B' ' 619' ' ' ASP . 2.8 mttt -113.86 -10.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.065 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.798 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 12.4 tp -54.49 -45.11 73.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.748 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.686 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.52 -47.76 82.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.947 0.403 . . . . 0.0 111.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -34.61 77.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.434 0.635 . . . . 0.0 109.787 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.511 ' CD1' ' HE2' ' B' ' 613' ' ' PHE . 0.5 OUTLIER -62.33 -52.54 63.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.815 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -65.68 -32.57 74.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.446 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.1 tp10 -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.65 84.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.503 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -60.72 -49.93 75.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.116 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.557 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.7 mm? -65.52 -44.66 86.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.864 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 635' ' ' ARG . 19.3 m -63.84 -36.07 82.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.726 ' HD1' HG13 ' B' ' 566' ' ' VAL . 16.8 t80 -60.03 -42.04 93.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.668 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.64 -41.39 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.535 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.4 mt -66.07 -45.04 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.456 ' NE2' ' HE2' ' B' ' 641' ' ' LYS . 5.9 tm0? -58.24 -47.03 84.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.151 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.563 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.5 tp10 -63.58 -37.49 87.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.0 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.05 -27.41 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -28.71 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.431 0.634 . . . . 0.0 109.768 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 641' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.25 -6.39 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.665 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.713 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.8 OUTLIER -69.3 117.06 48.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.004 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.81 -9.08 11.04 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.416 ' HG3' HG21 ' B' ' 543' ' ' THR . 4.9 mttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.054 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 1.9 m -71.33 138.23 49.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.845 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 50.3 m-85 -88.44 140.61 29.29 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.249 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.41 126.67 28.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.645 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 534' ' ' THR . . . . . 0.54 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.7 115.98 21.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.959 0.409 . . . . 0.0 109.935 178.718 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.89 150.12 25.12 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.71 122.36 32.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 0.0 109.937 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.0 mm? -118.45 134.79 54.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.602 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.516 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.8 OUTLIER -83.0 158.43 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.36 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -43.21 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.36 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -80.6 -30.39 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.258 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 546' ' ' VAL . 74.7 t80 -55.7 -51.52 67.02 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.55 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.94 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -67.14 -33.66 75.91 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.214 0.53 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -44.24 84.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' B' ' 549' ' ' LEU . 83.8 t -70.97 -44.89 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.229 0.538 . . . . 0.0 111.771 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 542' ' ' TYR . 59.1 t -59.46 -49.5 83.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.082 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -68.85 -34.14 74.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.595 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -59.42 -50.76 72.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.179 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.595 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.3 mt -71.86 -27.62 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.45 -33.24 75.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 37.3 mmt-85 -63.28 -48.39 78.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.909 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 557' ' ' ARG . 14.8 mt-10 -65.86 -32.15 73.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.521 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -76.65 -24.55 53.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.052 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.545 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.9 mtmt -95.28 -55.96 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.323 0.582 . . . . 0.0 109.965 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.92 127.27 43.71 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.3 124.79 8.17 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.517 2.145 . . . . 0.0 112.736 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 552' ' ' GLU . 1.3 mtt180 -163.06 16.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.342 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -100.56 150.76 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -19.27 54.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.108 0.48 . . . . 0.0 109.928 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 3.1 t90 -154.95 148.25 25.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.523 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 560' ' ' TRP . 0.5 OUTLIER 81.08 135.6 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 112.402 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' A' ' 561' ' ' VAL . 78.0 Cg_endo -85.23 98.73 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.052 2.501 . . . . 0.0 111.593 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 1.7 p -79.07 -22.32 45.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.22 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.87 -48.21 75.96 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.75 -30.08 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.994 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.787 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -71.13 -38.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.475 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.466 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.0 -14.53 62.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 110.059 179.322 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -10.69 59.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.407 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.696 HG23 HH11 ' A' ' 577' ' ' ARG . 3.8 mt -92.27 141.58 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.791 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -94.5 127.95 42.03 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.205 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 570' ' ' LEU . 32.4 Cg_endo -67.55 18.96 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.215 0 C-N-CA 122.856 2.371 . . . . 0.0 112.436 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 570' ' ' LEU . 45.8 p -108.25 -13.28 14.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -97.77 -109.64 0.17 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.727 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -147.06 158.71 27.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.914 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.05 -4.89 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.671 0.388 . . . . 0.0 112.032 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 577' ' ' ARG . 0.5 OUTLIER -55.32 -38.25 68.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 120.658 0.266 . . . . 0.0 110.356 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.696 HH11 HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.55 -37.52 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 0.0 110.297 178.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.79 -45.48 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.528 ' O ' HG12 ' A' ' 582' ' ' ILE . 0.3 OUTLIER -66.35 -42.22 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 109.896 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 17.1 m -62.04 -37.17 83.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.46 76.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.26 0.552 . . . . 0.0 111.061 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.82 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -88.65 8.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.977 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.12 39.97 18.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.273 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 626' ' ' TYR . . . -81.2 -85.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.217 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.7 -47.0 2.96 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 121.085 -0.579 . . . . 0.0 114.527 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -79.74 -42.76 23.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.309 0.576 . . . . 0.0 111.814 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.67 -22.35 66.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.878 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.535 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -58.17 -25.1 61.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.092 0.473 . . . . 0.0 110.346 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.521 HG12 HD22 ' A' ' 590' ' ' LEU . 1.2 p -60.15 -34.52 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.521 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -65.25 -36.01 82.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.778 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.535 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 92.0 m-85 -68.26 -43.16 78.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.822 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.93 -40.23 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.7 80.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.407 ' HB3' HG13 ' A' ' 596' ' ' ILE . 22.2 t30 -83.55 -4.8 58.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.208 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 82.86 24.63 52.37 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.227 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.548 HG22 HD21 ' A' ' 575' ' ' LEU . 20.1 mt -89.77 -96.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.691 -0.255 . . . . 0.0 110.524 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.436 ' H ' ' HB ' ' A' ' 596' ' ' ILE . 27.5 p90 54.39 -10.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.578 1.551 . . . . 0.0 115.168 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 598' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -112.4 151.13 30.18 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.646 . . . . 0.0 110.501 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.86 135.43 34.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.987 0.422 . . . . 0.0 110.03 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 119.18 -59.58 0.52 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 604' ' ' ARG . 31.3 t70 -61.86 -34.81 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 109.977 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.785 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.466 ' N ' ' HG2' ' A' ' 602' ' ' MET . 2.3 mt -68.57 -40.88 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 604' ' ' ARG . . . . . 0.484 ' HD2' ' OD1' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -62.58 -39.64 94.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.944 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.2 OUTLIER -66.72 -34.07 77.04 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.972 178.705 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.616 ' HA ' HD11 ' A' ' 612' ' ' ILE . 18.8 t80 -64.94 -42.72 94.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.4 -42.34 92.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 608' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.0 OUTLIER -76.48 -25.2 54.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.328 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 4.6 m-70 -117.64 -133.92 0.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 0.0 111.328 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.434 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER 169.97 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -179.325 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -109.54 32.18 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -52.44 -54.41 15.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.749 -178.81 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.2 m-85 -60.92 -42.07 97.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.0 OUTLIER -63.56 -40.13 96.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.305 179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.58 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.3 pt -75.39 -19.51 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.426 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 108.96 27.62 4.79 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.371 -0.918 . . . . 0.0 113.244 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.575 HG22 HD12 ' A' ' 623' ' ' LEU . 11.6 mm -65.98 146.44 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -66.01 121.62 15.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.682 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -65.57 -28.15 68.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.23 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -15.02 61.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 110.637 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -120.5 0.71 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.682 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -55.7 -45.48 77.84 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.273 -179.151 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -40.12 91.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.547 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 0.8 OUTLIER -70.03 -38.5 75.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.159 0.505 . . . . 0.0 110.05 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.82 ' HD1' HD12 ' A' ' 582' ' ' ILE . 16.6 m-85 -67.53 -50.98 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.555 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 15.9 m-85 -65.35 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.74 -50.82 72.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.525 0.678 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.68 80.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.857 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.56 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.7 OUTLIER -55.82 -49.84 72.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.734 -179.048 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 635' ' ' ARG . 1.9 mm? -62.11 -44.77 95.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 5.0 m -55.7 -42.05 74.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.388 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.787 ' HD1' HG13 ' A' ' 566' ' ' VAL . 5.4 t80 -62.58 -44.04 97.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.49 -39.96 92.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.722 ' HD2' ' O ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -63.95 -45.64 88.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.545 HG23 ' HE2' ' A' ' 554' ' ' LYS . 34.2 mt -62.41 -47.22 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.433 . . . . 0.0 110.685 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 641' ' ' LYS . 0.4 OUTLIER -57.26 -46.71 82.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -37.41 86.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 0.0 110.542 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -65.93 -29.04 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.305 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.8 mtm -70.12 -30.7 67.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.169 0.509 . . . . 0.0 109.782 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.41 -4.76 44.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.712 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.9 tp -56.21 131.02 75.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.482 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--N 1.345 0.384 0 C-N-CA 123.097 2.531 . . . . 0.0 112.202 179.525 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.96 142.94 28.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.947 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.84 138.9 31.05 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.982 0.42 . . . . 0.0 110.121 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 126.44 54.17 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 117.75 28.54 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.419 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.14 142.5 34.81 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -90.92 119.32 31.02 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.329 0.585 . . . . 0.0 110.247 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.3 OUTLIER -121.45 135.19 55.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.277 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.47 156.47 20.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -40.85 77.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.73 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -80.62 -26.27 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 111.23 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' B' ' 537' ' ' LEU . 88.2 t80 -52.3 -47.37 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.296 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.943 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.0 OUTLIER -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -43.37 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.562 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.06 -43.28 76.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.474 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 642' ' ' LEU . 43.0 t -60.23 -50.74 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.65 -30.73 71.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.773 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.522 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -66.87 -48.15 69.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 13.9 mt -72.28 -30.31 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.669 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -60.99 -32.53 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.603 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt-85 -63.15 -47.61 81.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.45 . . . . 0.0 110.084 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.06 -32.45 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.508 ' O ' ' HB ' ' B' ' 563' ' ' THR . . . -76.7 -31.09 57.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.244 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -75.56 -51.17 13.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 80.4 t -105.92 107.79 60.29 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.36 127.62 9.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.449 2.766 . . . . 0.0 114.064 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 20.6 3.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.098 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.84 159.35 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.723 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 2.6 m -72.82 -28.31 62.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.179 0.514 . . . . 0.0 110.781 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.558 ' CZ3' HG23 ' B' ' 561' ' ' VAL . 33.0 t90 -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.578 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.558 HG23 ' CZ3' ' B' ' 560' ' ' TRP . 0.4 OUTLIER 80.4 126.1 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 0.0 112.096 179.02 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 71.7 Cg_endo -94.95 81.06 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 123.591 2.86 . . . . 0.0 111.508 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 563' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -70.08 -10.88 60.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.502 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -58.7 -50.28 74.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -179.234 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 569' ' ' ILE . 7.1 p -71.52 -28.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.798 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -67.06 -39.76 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.688 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.98 -14.36 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.252 0.549 . . . . 0.0 110.294 179.623 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.67 -17.35 48.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.203 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 7.7 mt -77.22 145.96 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.642 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -93.93 117.84 67.24 Favored Pre-proline 0 C--N 1.318 -0.804 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.642 ' HD2' HD13 ' B' ' 570' ' ' LEU . 43.7 Cg_endo -67.08 18.29 0.11 Allowed 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 123.134 2.556 . . . . 0.0 113.017 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 570' ' ' LEU . 44.7 p -108.33 -10.17 15.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -89.97 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -160.74 162.32 33.4 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.548 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.587 ' HA ' ' HE3' ' B' ' 599' ' ' MET . 0.1 OUTLIER -73.18 -3.19 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.848 0.459 . . . . 0.0 111.887 -179.205 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -41.85 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.064 0.459 . . . . 0.0 110.852 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.438 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.3 OUTLIER -68.23 -36.99 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.13 179.022 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.9 -47.73 82.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.591 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.456 HD12 HD11 ' B' ' 582' ' ' ILE . 0.3 OUTLIER -64.48 -38.33 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.669 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 58.0 m -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.713 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.2 89.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.111 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.516 HD12 ' HD1' ' B' ' 626' ' ' TYR . 3.0 pt -86.88 11.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.04 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.39 38.77 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.366 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.603 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -101.94 -107.11 0.25 Allowed 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 585' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' B' ' 579' ' ' LEU . . . 88.46 -1.25 83.97 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 114.856 0.703 . . . . 0.0 114.856 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -113.74 -13.46 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.372 1.082 . . . . 0.0 109.254 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.603 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -76.04 -22.81 55.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.757 179.196 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -56.25 -25.72 48.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.485 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.544 HG12 HD22 ' B' ' 590' ' ' LEU . 1.3 p -59.51 -34.04 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.815 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.544 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -71.82 -40.28 69.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.762 0.792 . . . . 0.0 109.043 179.126 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' B' ' 596' ' ' ILE . 96.3 m-85 -67.33 -39.69 85.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.506 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 592' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 32.6 t30 -62.81 -40.33 97.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.88 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.97 86.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.182 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.413 HD22 HD11 ' B' ' 596' ' ' ILE . 59.6 t30 -82.52 -8.7 59.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 84.74 25.0 43.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.336 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' B' ' 591' ' ' PHE . 19.1 mt -83.37 -89.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.818 -0.191 . . . . 0.0 110.723 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 597' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 20.6 p90 46.42 6.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 151.46 51.87 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.998 -0.439 . . . . 0.0 110.245 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' B' ' 571' ' ' PRO . 0.2 OUTLIER -82.08 142.35 32.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.147 0.499 . . . . 0.0 110.383 -179.146 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 102.04 -45.84 1.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -40.46 96.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.99 -35.14 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.682 178.7 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.473 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.8 OUTLIER -67.11 -39.53 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.801 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -43.26 91.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.396 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 2.8 mm-40 -68.29 -34.17 75.68 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.204 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.608 ' HA ' HD11 ' B' ' 612' ' ' ILE . 9.6 t80 -64.18 -41.68 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.11 -46.28 88.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 608' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' B' ' 605' ' ' GLU . 0.4 OUTLIER -78.27 -17.55 56.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.893 -179.288 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 6.5 m-70 -122.51 -140.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.258 0.552 . . . . 0.0 111.157 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 8.1 p30 175.54 -19.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 611' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' B' ' 610' ' ' ASN . 40.0 p-10 -116.05 34.88 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.181 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -55.05 -57.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.823 -178.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -58.28 -45.2 88.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.708 ' HG3' HD11 ' B' ' 623' ' ' LEU . 5.7 mt-10 -59.94 -37.66 80.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.009 0.433 . . . . 0.0 110.55 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -69.8 -41.82 74.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.455 HD11 HG12 ' B' ' 618' ' ' ILE . 35.6 pt -72.56 -9.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 97.92 30.61 7.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.377 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' B' ' 613' ' ' PHE . 1.5 mm -65.33 146.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 122.458 0.303 . . . . 0.0 110.469 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.45 120.39 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.74 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.569 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -64.8 -34.67 78.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.447 -178.289 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -13.21 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.763 ' HB3' ' HE2' ' B' ' 625' ' ' LYS . 23.6 mtmm -133.39 13.17 4.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.904 0.383 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.708 HD11 ' HG3' ' B' ' 614' ' ' GLU . 8.3 tp -56.02 -44.02 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.852 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -40.62 93.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' B' ' 622' ' ' LYS . 1.9 ttpt -62.69 -40.31 96.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.69 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 30.3 m-85 -67.82 -51.29 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -63.79 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.667 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -53.12 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.427 0.632 . . . . 0.0 109.564 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.64 69.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.51 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.7 t80 -55.4 -50.86 68.65 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.555 HD12 ' NH2' ' B' ' 635' ' ' ARG . 3.1 mm? -66.75 -42.27 86.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 19.7 m -61.65 -39.38 91.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.798 ' HD1' HG13 ' B' ' 566' ' ' VAL . 42.3 t80 -61.97 -45.89 91.66 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.31 -38.12 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.4 OUTLIER -62.71 -45.64 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.125 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.5 mt -64.68 -47.61 88.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' B' ' 571' ' ' PRO . 4.9 tt0 -56.9 -41.85 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.064 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.9 -42.68 89.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.054 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -59.68 -27.12 66.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.958 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 640' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -68.52 -34.84 76.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.206 0.527 . . . . 0.0 110.006 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -94.72 -6.67 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.152 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.943 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.1 tp -68.35 129.57 92.74 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.7 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.4 41.5 0.72 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.024 2.483 . . . . 0.0 111.637 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.766 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.528 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.592 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.1 p90 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.911 0.386 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.35 124.16 27.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.539 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 14.0 m-85 -90.4 131.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.01 132.12 54.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.755 0.312 . . . . 0.0 111.39 -178.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 112.38 19.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' B' ' 542' ' ' TYR . 19.4 tp -96.04 140.15 31.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.528 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.86 121.8 33.8 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.2 mm? -119.36 120.11 35.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -178.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.52 157.98 31.62 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -39.33 35.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.752 0.705 . . . . 0.0 112.36 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.94 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -31.32 50.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.063 0.459 . . . . 0.0 111.244 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.619 ' HE1' HD13 ' B' ' 535' ' ' LEU . 75.9 t80 -57.01 -50.8 71.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.899 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.764 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -64.83 -36.36 84.07 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.941 0.401 . . . . 0.0 111.806 -178.237 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -65.93 -41.77 90.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 537' ' ' LEU . 42.0 t -71.48 -42.26 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.154 0.502 . . . . 0.0 111.444 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 41.5 t -60.43 -50.89 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.201 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.8 OUTLIER -68.8 -32.54 72.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.195 -178.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.543 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -59.82 -50.28 74.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 110.632 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.683 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 15.0 mt -71.19 -27.19 63.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.726 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.88 77.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.078 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.9 mmt-85 -62.6 -48.44 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 0.0 110.245 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.639 ' HA ' ' HD2' ' A' ' 557' ' ' ARG . 12.4 mt-10 -67.72 -32.91 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.463 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.01 -37.78 46.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.098 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 636' ' ' ILE . 17.9 mttt -76.9 -55.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 0.0 110.22 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 76.9 t -94.34 123.85 57.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.674 ' HG3' ' HB3' ' A' ' 564' ' ' GLN . 82.2 Cg_exo -44.86 126.93 7.88 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.592 2.195 . . . . 0.0 112.832 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -131.39 -51.58 1.01 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.486 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -122.53 128.34 50.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.74 14.95 1.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.88 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -43.68 98.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 110.025 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.54 153.93 79.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.727 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.06 60.66 6.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.97 2.447 . . . . 0.0 111.579 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.501 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -66.7 -28.56 68.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.143 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.674 ' HB3' ' HG3' ' A' ' 556' ' ' PRO . 0.1 OUTLIER -55.44 -39.77 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 111.655 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 569' ' ' ILE . 11.4 p -89.57 -27.42 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.005 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.723 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -65.33 -40.9 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.562 ' HB3' HD13 ' A' ' 636' ' ' ILE . 1.1 p -72.45 -15.06 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -80.94 -10.77 59.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.577 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.789 HG12 ' HD2' ' A' ' 577' ' ' ARG . 1.6 mt -97.11 145.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.582 0.706 . . . . 0.0 112.244 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.0 OUTLIER -107.25 126.11 30.85 Favored Pre-proline 0 N--CA 1.44 -0.944 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.264 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 570' ' ' LEU . 48.2 Cg_endo -66.25 0.74 3.02 Favored 'Trans proline' 0 CA--C 1.521 -0.148 0 C-N-CA 122.634 2.223 . . . . 0.0 111.857 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 69.9 p -80.58 -16.65 53.63 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.861 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -101.33 9.72 41.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.016 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 108.65 -156.29 15.76 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.154 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -124.04 -8.49 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.699 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -39.37 68.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.633 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.789 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.78 -37.53 84.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.793 0.33 . . . . 0.0 110.788 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.52 -42.73 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.083 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.674 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -62.67 -44.12 97.06 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.01 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 18.0 m -60.83 -36.25 78.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.97 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.364 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 9.2 pt -96.86 8.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.992 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 65.02 39.18 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.444 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.674 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -109.42 47.19 0.94 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.39 -16.84 58.87 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 114.049 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.34 -15.23 16.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.336 0.568 . . . . 0.0 110.809 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.579 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -75.37 -24.05 57.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.973 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.08 -24.93 60.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.203 0.525 . . . . 0.0 110.116 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -59.22 -33.82 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.263 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.362 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 58.2 m-85 -68.03 -42.87 79.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.365 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.38 -40.25 81.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.083 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.54 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.167 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.551 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.1 t30 -80.86 -14.77 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.844 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.25 20.4 35.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.175 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.9 mt -95.7 104.57 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.78 10.52 0.29 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.282 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.07 172.02 8.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.071 0.462 . . . . 0.0 112.04 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.7 ptp -80.89 150.2 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.762 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.78 -48.1 3.8 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.82 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.34 -45.25 84.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.49 -46.11 91.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.615 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.512 ' HA ' ' OH ' ' A' ' 634' ' ' TYR . 2.1 mp -65.96 -42.0 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -40.19 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.956 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 8.3 mm-40 -64.81 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.076 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 90.0 t80 -66.53 -38.87 88.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 0.0 110.464 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.17 -44.81 64.76 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 608' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -79.39 -26.99 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 0.6 OUTLIER -115.37 -49.82 2.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.457 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 81.89 -39.07 0.12 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.775 0.83 . . . . 0.0 111.517 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.31 43.32 1.24 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.508 0.671 . . . . 0.0 110.228 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -56.51 -53.06 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.588 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.448 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.8 m-30 -58.08 -40.21 80.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.488 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -39.71 94.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.297 0.57 . . . . 0.0 110.377 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -42.58 75.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.376 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.551 HG22 ' HB2' ' A' ' 594' ' ' ASN . 50.3 pt -70.4 -22.99 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.78 21.51 5.35 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.858 -1.163 . . . . 0.0 114.136 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.38 143.94 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.471 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 8.2 t70 -65.85 127.91 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.938 0.399 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.718 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.32 -28.44 69.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.457 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -10.46 59.07 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 111.306 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.471 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 22.7 mtpt -122.79 -4.82 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 109.654 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 2.8 tp -54.59 -46.28 73.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.933 -177.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -63.64 -34.47 77.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.942 0.401 . . . . 0.0 111.18 -179.416 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 625' ' ' LYS . 2.8 m-30 -68.52 -49.07 62.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.381 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.495 ' CE2' ' HG ' ' A' ' 623' ' ' LEU . 20.6 m-85 -65.6 -32.27 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.96 -51.0 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.887 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.423 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.627 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -58.42 -48.77 79.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.264 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.46 HD11 HD22 ' B' ' 537' ' ' LEU . 0.2 OUTLIER -62.08 -45.11 94.96 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.21 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.93 89.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.723 ' HD1' HG13 ' A' ' 566' ' ' VAL . 42.6 t80 -59.94 -46.09 90.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.407 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 634' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 603' ' ' ILE . 4.4 m-30 -63.66 -37.35 87.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.965 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.683 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -64.86 -44.09 90.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.916 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.765 HD11 ' HB1' ' A' ' 553' ' ' ALA . 13.1 mt -59.26 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.646 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.14 -47.06 82.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.82 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 638' ' ' GLU . . . . . 0.412 ' HG3' HD13 ' A' ' 642' ' ' LEU . 26.1 tp10 -67.11 -38.01 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.078 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.701 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.74 -27.02 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.495 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.4 mtt -68.15 -35.76 78.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.08 0.467 . . . . 0.0 109.854 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -6.6 38.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.649 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.0 tp -64.4 129.5 94.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.593 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 N--CA 1.462 -0.377 0 C-N-CA 122.795 2.33 . . . . 0.0 112.081 179.429 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.041 0.448 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 158.52 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.825 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 30.7 m-85 -112.16 137.03 50.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 135.98 51.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.854 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.61 133.1 33.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.816 0.341 . . . . 0.0 111.497 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 542' ' ' TYR . 7.7 tp -128.74 143.01 50.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.62 121.88 34.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.25 0.548 . . . . 0.0 110.951 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -119.77 139.93 51.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.397 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.52 154.73 28.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.01 -42.94 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.47 77.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 11.3 mm-40 -80.13 -31.12 39.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.864 0.364 . . . . 0.0 111.29 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 535' ' ' LEU . 85.4 t80 -57.16 -50.8 71.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.672 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.967 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.2 p -60.93 -35.34 76.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.009 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.84 -45.05 83.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.654 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.5 HG22 ' HE2' ' A' ' 548' ' ' PHE . 43.2 t -70.69 -42.83 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.447 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.8 t -59.64 -51.19 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.911 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.4 mm-40 -70.05 -30.67 67.99 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.01 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -60.38 -49.15 78.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.145 178.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.712 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 14.3 mt -71.21 -31.35 67.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.52 74.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.393 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' B' ' 548' ' ' PHE . 56.9 mmt-85 -59.44 -49.48 77.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.531 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -68.33 -32.54 72.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.643 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.31 -21.93 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.007 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -95.34 -52.23 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.729 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.8 t -88.87 130.26 45.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.2 127.16 2.09 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.88 2.387 . . . . 0.0 112.573 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 557' ' ' ARG . . . . . 0.477 ' HD2' ' HB3' ' B' ' 552' ' ' GLU . 5.6 ttm180 -164.43 -34.77 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.436 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 123.0 29.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 -17.52 18.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' B' ' 624' ' ' SER . 0.1 OUTLIER -63.94 -46.67 83.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.568 HG11 ' HB3' ' B' ' 628' ' ' GLU . 2.8 p -151.25 131.9 7.31 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.609 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.05 112.38 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.918 2.412 . . . . 0.0 111.512 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.62 -16.25 14.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -55.96 -44.42 78.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 111.5 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 565' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.16 -28.07 28.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.784 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.09 -39.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.424 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -73.47 -17.55 61.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.426 0.632 . . . . 0.0 109.933 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -21.06 56.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.298 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.62 HG12 ' HB3' ' B' ' 577' ' ' ARG . 17.1 mt -74.7 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.603 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' B' ' 571' ' ' PRO . 5.3 tp -86.73 115.41 62.3 Favored Pre-proline 0 N--CA 1.437 -1.11 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' B' ' 570' ' ' LEU . 35.7 Cg_endo -65.85 19.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.918 2.412 . . . . 0.0 112.802 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.538 ' H ' ' C ' ' B' ' 570' ' ' LEU . 22.7 p -108.53 -16.13 14.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.056 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -57.79 3.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.81 -127.0 1.6 Allowed Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -136.86 -3.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.717 0.258 . . . . 0.0 111.188 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -55.29 -45.13 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.616 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.62 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.55 -36.69 85.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.457 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.19 -42.87 99.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.776 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.2 OUTLIER -66.26 -40.02 89.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 76.2 m -62.36 -41.24 98.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.112 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.75 -40.43 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.567 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.86 4.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.225 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.98 41.82 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.298 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -108.03 52.42 0.71 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.04 65.7 3.73 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.978 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -168.85 -35.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' B' ' 618' ' ' ILE . 1.3 m-20 -74.13 -21.92 59.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.574 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.15 -25.85 59.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.875 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.359 179.432 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.14 -36.3 82.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.783 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.574 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 84.0 m-85 -67.86 -43.01 80.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.345 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.98 -36.5 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.075 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.09 99.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.413 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.41 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.2 t-20 -83.16 -10.26 58.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 111.249 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.33 22.9 33.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.087 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' B' ' 575' ' ' LEU . 7.5 mt -98.9 87.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.77 0.319 . . . . 0.0 111.521 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.16 18.03 2.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.286 0.565 . . . . 0.0 109.988 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 171.9 13.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.707 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.1 OUTLIER -82.18 153.48 25.96 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.246 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.47 -46.66 3.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.539 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 601' ' ' ASP . . . . . 0.52 ' OD1' ' HD3' ' B' ' 604' ' ' ARG . 0.6 OUTLIER -57.01 -41.75 79.08 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.671 0.389 . . . . 0.0 111.902 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -47.03 87.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.379 0.609 . . . . 0.0 110.417 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.438 HG23 ' HE1' ' B' ' 634' ' ' TYR . 2.1 mp -67.45 -39.61 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.792 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.52 ' HD3' ' OD1' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -60.31 -42.19 95.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.779 178.578 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.571 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -65.81 -33.06 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.71 178.611 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.879 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.7 t80 -64.49 -37.22 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 0.0 109.751 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.186 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -75.64 -41.03 55.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.426 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -120.49 -41.42 2.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.62 -38.67 0.32 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.341 0.656 . . . . 0.0 110.794 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.84 35.18 2.25 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -49.34 -54.52 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.373 -178.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.01 -43.96 86.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.712 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -66.1 -38.49 88.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.412 0.625 . . . . 0.0 110.163 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -42.75 76.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.659 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' B' ' 594' ' ' ASN . 38.5 pt -70.95 -24.06 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 617' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 113.38 29.58 2.92 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.113 -1.041 . . . . 0.0 113.33 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.0 mm -66.74 146.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 18.9 t70 -64.42 121.62 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.118 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.585 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.5 OUTLIER -61.35 -33.51 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -13.1 62.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.097 0.475 . . . . 0.0 110.784 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' B' ' 619' ' ' ASP . 22.9 mtpt -113.55 -4.91 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.713 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -55.33 -44.61 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.087 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.6 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -60.51 -48.28 82.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.42 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -34.57 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.387 0.613 . . . . 0.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -53.26 52.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.434 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.41 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.916 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.568 ' HB3' HG11 ' B' ' 561' ' ' VAL . 3.6 tp10 -59.91 -50.86 72.11 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.189 0.519 . . . . 0.0 109.684 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.2 82.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.061 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.423 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -59.74 -48.95 79.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.97 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' B' ' 532' ' ' PHE . 0.5 OUTLIER -57.61 -44.98 85.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.261 0.553 . . . . 0.0 110.195 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 6.6 m -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.579 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.784 ' HD1' HG13 ' B' ' 566' ' ' VAL . 20.9 t80 -62.99 -40.47 97.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 634' ' ' TYR . . . . . 0.438 ' HE1' HG23 ' B' ' 603' ' ' ILE . 63.5 t80 -60.26 -39.98 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.172 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -69.04 -45.45 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.264 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.624 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -60.63 -43.6 95.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.755 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -57.52 -47.65 81.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.992 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -36.03 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.144 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -63.64 -26.67 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.02 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -30.03 68.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.737 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.5 -5.92 41.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.432 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.967 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.9 OUTLIER -65.05 131.86 95.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.188 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.98 69.65 7.38 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.858 2.372 . . . . 0.0 112.009 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.505 ' HB3' ' HE2' ' B' ' 644' ' ' LYS . 8.4 ttpt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.092 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 611' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.798 0 CA-C-O 121.698 0.761 . . . . 0.0 112.545 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 531' ' ' SER . . . . . 0.797 ' HB2' HG23 ' B' ' 539' ' ' THR . 1.5 m -157.95 74.8 0.74 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.373 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.16 135.54 38.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.263 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -143.68 126.78 16.47 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' THR . . . . . 0.635 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -79.57 100.32 7.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.48 HD13 ' HE1' ' B' ' 542' ' ' TYR . 2.5 tp -83.91 145.34 28.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.215 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.41 121.2 32.17 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.2 mm? -119.57 126.94 52.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.121 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 157.16 32.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.499 ' OG1' ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -52.67 -40.46 62.89 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.213 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.62 72.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.497 ' OE2' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -80.62 -27.26 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.7 t80 -53.99 -46.02 71.6 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.9 HG22 ' HG ' ' A' ' 642' ' ' LEU . 5.4 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.285 0.564 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -44.83 90.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.495 HG21 HD11 ' A' ' 537' ' ' LEU . 73.6 t -71.84 -43.6 68.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.81 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 51.6 t -59.91 -50.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.063 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.682 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.6 OUTLIER -68.66 -32.78 72.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.113 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -58.76 -50.77 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 635' ' ' ARG . 7.3 mt -72.01 -29.03 63.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.175 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.96 79.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -65.72 -44.46 86.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 179.177 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -33.37 74.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.15 -27.45 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.112 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.507 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.0 mttt -84.08 -57.31 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.269 0.557 . . . . 0.0 110.356 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.2 119.58 68.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.418 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 13.6 Cg_endo -57.11 128.36 29.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.447 2.098 . . . . 0.0 112.548 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.88 -32.11 3.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.515 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.64 146.26 52.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.152 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -2.66 52.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -62.51 -34.07 76.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.936 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.3 p -132.83 129.06 21.04 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.8 Cg_exo -74.43 64.71 5.52 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.978 2.452 . . . . 0.0 112.274 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -30.74 65.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -57.11 -47.79 80.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 581' ' ' ALA . 14.7 p -73.99 -26.98 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.116 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.794 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -67.31 -41.63 86.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.631 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -15.02 60.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 109.685 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -80.04 -11.74 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.112 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -94.56 142.13 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.434 178.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.706 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -86.04 127.83 60.38 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.544 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.706 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.3 Cg_endo -68.01 17.63 0.14 Allowed 'Trans proline' 0 N--CA 1.471 0.16 0 C-N-CA 122.831 2.354 . . . . 0.0 112.553 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 35.0 p -108.43 -14.25 14.7 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.691 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.27 -61.24 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.9 -150.33 18.65 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -117.43 -11.87 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.584 0.23 . . . . 0.0 110.774 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.09 -41.66 75.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.58 -37.59 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -62.25 -47.01 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.237 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -62.49 -40.91 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.4 m -61.15 -42.35 98.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.578 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.2 -42.57 77.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.689 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 626' ' ' TYR . 15.9 pt -92.23 8.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.631 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.07 40.83 32.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.962 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -60.48 -62.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.694 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 91.74 -106.7 3.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.928 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.99 -12.66 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.446 ' HA ' HD23 ' A' ' 590' ' ' LEU . 5.4 m-20 -63.62 -26.42 68.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 0.0 110.84 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.8 OUTLIER -62.16 -26.59 68.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.357 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.421 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -63.88 -33.14 60.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.069 0.461 . . . . 0.0 110.525 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.482 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.2 mm? -62.92 -34.35 77.28 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.191 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.548 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 85.0 m-85 -67.48 -43.09 81.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.821 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -31.02 69.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.376 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.71 92.55 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.664 ' HB2' HG22 ' A' ' 616' ' ' ILE . 8.7 t-20 -81.22 -10.12 59.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.741 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.0 19.03 37.76 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.123 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' A' ' 575' ' ' LEU . 3.6 mt -93.45 92.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.763 0.316 . . . . 0.0 111.173 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.17 6.9 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.929 0.395 . . . . 0.0 110.577 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.58 170.67 12.95 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.251 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.533 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -83.0 160.25 22.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.69 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.37 -48.38 3.8 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.09 -38.83 84.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.37 0.268 . . . . 0.0 111.692 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.11 -43.18 92.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.594 0.235 . . . . 0.0 110.725 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.7 OUTLIER -68.85 -41.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.223 0.535 . . . . 0.0 109.819 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -60.62 -46.55 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.3 mm-40 -64.9 -34.65 78.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.647 ' HA ' HD11 ' A' ' 612' ' ' ILE . 1.0 OUTLIER -64.26 -45.25 88.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.734 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.5 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.713 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -21.55 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.805 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.2 m-70 -115.92 -133.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.516 . . . . 0.0 111.303 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 20.3 t-20 170.33 -28.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.211 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ASP . . . . . 0.45 ' HA ' ' OH ' ' A' ' 530' ' ' TYR . 23.3 p-10 -114.08 34.94 4.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.943 -1.48 . . . . 0.0 111.37 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.689 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -53.8 -57.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 627' ' ' TYR . 3.0 m-85 -58.87 -39.95 82.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.2 OUTLIER -66.68 -37.09 84.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.51 0.671 . . . . 0.0 110.209 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -42.57 75.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.462 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.7 pt -70.9 -25.29 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.584 0.23 . . . . 0.0 111.377 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.482 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.53 32.59 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.31 -0.948 . . . . 0.0 113.853 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.509 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.8 mm -66.3 144.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.096 0.448 . . . . 0.0 110.151 179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -65.3 121.14 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 110.202 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.571 ' HA ' ' CB ' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -60.5 -27.67 67.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -22.26 66.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.225 0.536 . . . . 0.0 111.101 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 0.3 OUTLIER -125.36 -4.47 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.542 -179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 620' ' ' SER . 1.3 tp -53.69 -45.27 70.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -43.79 97.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.311 0.577 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.52 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.54 -37.7 85.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.576 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.3 m-30 -61.58 -45.74 92.83 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.885 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 15.8 m-85 -65.39 -30.88 71.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.553 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.55 -52.21 64.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.55 78.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.714 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.689 ' HE2' HD13 ' A' ' 612' ' ' ILE . 2.2 t80 -63.71 -50.55 68.72 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.168 0.587 . . . . 0.0 112.223 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 635' ' ' ARG . 2.1 mm? -67.1 -45.1 78.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.895 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 71.7 m -59.79 -35.65 75.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.794 ' HD2' HG13 ' A' ' 566' ' ' VAL . 29.6 t80 -62.76 -46.39 88.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -61.29 -38.18 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' HD13 ' A' ' 549' ' ' LEU . 35.5 mtt-85 -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.507 HG23 ' HE2' ' A' ' 554' ' ' LYS . 73.5 mt -61.79 -45.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.96 -45.37 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.214 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.88 -37.7 88.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.34 -27.79 68.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 19.4 mtt -68.82 -30.07 68.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.633 . . . . 0.0 109.513 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 641' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -96.15 -6.07 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.886 178.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.9 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.7 tp -74.37 124.0 89.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.487 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.9 Cg_exo . . . . . 0 N--CA 1.458 -0.562 0 C-N-CA 122.939 2.426 . . . . 0.0 110.551 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' B' ' 611' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.443 -0.824 0 CA-C-O 122.117 0.96 . . . . 0.0 113.324 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 531' ' ' SER . . . . . 0.499 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 58.3 m -146.87 77.05 1.45 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 113.975 -1.466 . . . . 0.0 107.152 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.406 ' HE1' HD21 ' B' ' 631' ' ' LEU . 64.9 m-85 -85.71 127.76 34.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.931 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.47 127.69 54.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.519 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.05 92.96 7.99 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.347 0.594 . . . . 0.0 110.501 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.9 tp -84.02 137.71 33.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.395 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -89.43 129.8 35.88 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.316 0.579 . . . . 0.0 110.633 -179.18 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.3 mm? -119.56 130.17 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.84 155.11 17.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.797 HG23 ' HB2' ' A' ' 531' ' ' SER . 0.2 OUTLIER -34.41 -53.04 0.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.98 76.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 1.3 mt-10 -80.99 -31.21 34.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.514 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.1 t80 -56.01 -53.01 62.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.614 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.744 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.2 p -63.47 -37.11 86.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.165 0.507 . . . . 0.0 110.573 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -46.66 77.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.534 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.52 HG22 ' HE2' ' A' ' 548' ' ' PHE . 60.2 t -71.19 -42.19 75.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.626 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 542' ' ' TYR . 48.9 t -59.3 -49.33 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.576 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 543' ' ' THR . 0.0 OUTLIER -68.01 -40.38 82.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.227 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -57.17 -49.36 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.487 0.184 . . . . 0.0 111.272 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 18.0 mt -71.0 -26.66 63.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.765 0.317 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.88 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.072 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -63.41 -40.01 96.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.25 -32.83 74.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.493 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -78.47 -39.58 38.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 39.7 mttt -66.8 -59.01 3.92 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.307 0.575 . . . . 0.0 109.486 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 555' ' ' VAL . . . . . 0.451 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 47.1 t -96.63 111.29 56.72 Favored Pre-proline 0 N--CA 1.445 -0.712 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.478 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -42.38 124.16 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.988 2.459 . . . . 0.0 113.278 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 4.5 mpp_? -144.3 9.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.064 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.44 129.74 56.22 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.117 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 559' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -93.8 150.32 20.48 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' B' ' 625' ' ' LYS . 79.0 t90 79.06 -43.32 0.32 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.939 0.775 . . . . 0.0 111.569 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.9 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.6 p -107.26 126.06 30.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.81 137.51 53.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.652 2.235 . . . . 0.0 111.777 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -34.17 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.478 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 20.9 tt0 -56.07 -47.59 77.69 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 569' ' ' ILE . 10.3 p -67.01 -31.86 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.28 -41.27 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.528 0.204 . . . . 0.0 111.516 -178.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.2 p -72.07 -16.52 62.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 110.083 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -80.81 -13.41 58.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.806 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.774 HG12 ' HD2' ' B' ' 577' ' ' ARG . 5.1 mt -90.69 146.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.497 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -99.11 122.71 51.48 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.225 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' B' ' 570' ' ' LEU . 20.6 Cg_endo -65.4 7.75 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.731 2.287 . . . . 0.0 111.88 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 570' ' ' LEU . 40.1 p -104.64 -1.04 26.92 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.32 -67.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 175.14 168.8 36.19 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.4 OUTLIER -86.35 -10.44 54.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.895 0.347 . . . . 0.0 111.321 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -39.72 73.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.39 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.774 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.41 -37.49 83.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.29 -46.79 85.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.241 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -63.39 -40.21 96.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.129 0.49 . . . . 0.0 109.905 179.455 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 63.7 m -63.33 -41.87 98.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.899 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.434 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.12 -38.96 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.227 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 626' ' ' TYR . 1.9 pt -95.41 5.09 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.615 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.7 42.23 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.743 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -61.7 -49.47 76.34 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.295 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 74.4 -111.0 3.26 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.86 -23.38 66.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.605 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 1.8 m-20 -62.12 -29.25 70.2 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -26.2 68.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.07 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.41 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -64.22 -33.54 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' B' ' 587' ' ' ASP . 1.5 mm? -60.69 -36.69 79.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 57.0 m-85 -68.37 -46.47 69.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -37.11 83.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.59 91.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.826 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.39 -11.54 58.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.322 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.42 13.6 44.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.301 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.6 mt -97.0 92.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.119 0.485 . . . . 0.0 110.58 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.67 -3.6 4.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.379 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.53 171.67 7.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.47 0.652 . . . . 0.0 112.3 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.32 160.97 22.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.713 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.5 -41.49 1.87 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.848 -0.614 . . . . 0.0 113.054 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.39 -43.64 79.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.891 0.476 . . . . 0.0 111.635 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -41.87 94.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.0 OUTLIER -68.4 -40.12 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.301 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' B' ' 604' ' ' ARG . 1.7 ttm105 -64.79 -46.67 81.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 6.7 mm-40 -61.14 -33.33 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.015 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.884 ' HA ' HD11 ' B' ' 612' ' ' ILE . 82.5 t80 -67.24 -39.72 86.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.956 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 607' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 65.1 mt-10 -73.52 -41.08 63.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -36.72 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.687 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 1.8 m-70 -109.43 -58.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 81.13 -19.3 0.44 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.843 0.714 . . . . 0.0 110.061 -178.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 611' ' ' ASP . . . . . 0.665 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 8.7 p-10 -114.88 30.47 7.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.48 0.657 . . . . 0.0 110.036 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.884 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -55.96 -57.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.642 -178.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.3 m-85 -57.53 -37.62 73.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.848 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.17 -38.73 82.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 109.94 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -42.32 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.562 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' B' ' 613' ' ' PHE . 45.0 pt -71.7 -25.2 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.18 31.65 2.8 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 119.944 -1.122 . . . . 0.0 113.979 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 17.1 mm -66.45 145.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.32 120.39 12.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -27.58 67.19 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -19.17 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.659 0.266 . . . . 0.0 111.122 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' B' ' 622' ' ' LYS . 6.6 mtmm -125.83 -8.54 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.518 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -53.29 -44.77 68.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.484 0.714 . . . . 0.0 112.422 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -43.24 93.37 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.084 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.85 -38.44 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.756 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.523 ' CD1' HD12 ' B' ' 582' ' ' ILE . 2.2 m-30 -61.27 -47.76 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.714 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 627' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' B' ' 613' ' ' PHE . 27.3 m-85 -64.91 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.74 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.9 ' HG2' HG11 ' B' ' 561' ' ' VAL . 4.3 tp10 -58.89 -49.15 78.85 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.61 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.174 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -49.41 72.81 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.292 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.542 HD12 ' NH2' ' B' ' 635' ' ' ARG . 2.5 mm? -64.55 -43.97 92.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.825 0.345 . . . . 0.0 110.701 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 15.6 m -62.69 -40.84 98.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.129 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.6 OUTLIER -65.35 -41.8 93.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.892 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -60.11 -38.28 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.542 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -63.79 -42.82 97.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.065 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.537 HD11 ' CB ' ' B' ' 553' ' ' ALA . 60.5 mt -61.78 -44.62 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -44.19 81.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.112 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.54 -35.19 65.51 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.829 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.561 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.98 -26.06 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 640' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -66.51 -30.78 71.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 0.0 109.864 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -6.15 40.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.744 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -67.22 128.22 93.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.152 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 6.7 Cg_exo -72.25 -75.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 0.0 111.073 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.007 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.647 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.863 0 CA-C-O 121.405 0.621 . . . . 0.0 111.601 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.44 129.75 42.08 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.255 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -100.73 129.22 46.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.101 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.64 134.02 49.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.095 0.474 . . . . 0.0 111.899 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.05 96.51 8.53 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 32.2 tp -91.37 142.51 27.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.687 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.83 120.86 32.92 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.7 OUTLIER -118.92 136.97 53.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.76 -177.675 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -79.8 155.54 27.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.097 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -53.96 -37.56 64.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -177.768 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -80.74 -27.63 36.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.089 0.471 . . . . 0.0 111.494 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 537' ' ' LEU . 83.4 t80 -53.66 -47.68 70.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.678 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.739 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -64.83 -34.43 78.35 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -43.62 83.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.21 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.13 -43.9 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.631 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 642' ' ' LEU . 54.6 t -60.04 -50.28 80.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.955 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -66.99 -32.51 73.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.471 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.609 ' HE2' HG22 ' B' ' 545' ' ' VAL . 3.2 t80 -60.01 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 6.9 mt -72.11 -30.5 65.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.293 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.93 -35.44 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 6.3 mmt85 -64.55 -40.22 95.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.619 ' HA ' HH12 ' A' ' 557' ' ' ARG . 2.8 mm-40 -64.08 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.114 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.09 -26.12 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.537 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.57 ' HE2' HG23 ' A' ' 636' ' ' ILE . 13.1 mttm -78.9 -54.99 5.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.362 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 93.0 t -86.46 125.02 68.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.35 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.91 128.1 25.5 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.789 2.326 . . . . 0.0 112.037 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.619 HH12 ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -154.97 -36.64 0.09 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.7 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -84.77 123.96 31.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -12.21 19.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.819 0.342 . . . . 0.0 111.752 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -89.27 -42.18 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.348 0.594 . . . . 0.0 110.058 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.635 HG11 ' HG2' ' A' ' 628' ' ' GLU . 1.5 p -113.29 119.22 42.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.802 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.64 103.6 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.025 2.483 . . . . 0.0 111.848 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -42.15 6.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.08 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.34 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.6 p -67.01 -30.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.783 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -70.4 -39.47 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.71 -14.43 61.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.306 0.574 . . . . 0.0 110.079 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -16.85 49.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.914 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -89.86 145.55 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.52 . . . . 0.0 111.263 -179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -86.07 126.55 64.98 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.715 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.2 Cg_endo -67.45 13.61 0.16 Allowed 'Trans proline' 0 C--N 1.335 -0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.504 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 80.8 p -99.84 -16.2 18.13 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.839 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -80.25 -39.63 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.29 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 141.94 -137.79 8.18 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.576 HD21 HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -126.29 -5.51 6.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.851 0.326 . . . . 0.0 110.581 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.3 -45.02 76.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.528 -178.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.76 -36.77 81.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.007 0.432 . . . . 0.0 110.238 179.116 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 578' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 575' ' ' LEU . 54.2 t80 -59.57 -44.28 93.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.834 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -66.41 -38.96 88.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.639 178.645 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.44 -38.11 83.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.703 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.15 -42.97 82.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 626' ' ' TYR . 25.8 pt -94.01 8.63 5.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.657 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 63.92 39.76 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.377 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.41 89.55 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.25 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -73.87 -22.12 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 3.1 m-20 -74.16 -25.33 59.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.01 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -26.43 64.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -64.92 -33.81 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.528 -179.639 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 587' ' ' ASP . 1.3 mm? -62.34 -38.07 88.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.533 0.682 . . . . 0.0 109.479 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.3 m-85 -68.11 -42.98 79.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.433 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -56.8 -41.41 77.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.97 93.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.306 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 616' ' ' ILE . 5.2 t30 -81.55 -12.71 58.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.09 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.85 13.97 53.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.321 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.576 HG22 HD21 ' A' ' 575' ' ' LEU . 6.6 mt -94.67 107.79 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -165.4 20.03 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.898 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.63 173.04 9.26 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.588 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.06 128.82 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.871 -179.755 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.5 -31.85 3.47 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.568 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.62 96.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.181 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -66.41 -39.24 88.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.013 0.435 . . . . 0.0 110.565 178.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.441 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.7 mt -67.8 -40.7 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.91 -44.82 95.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.004 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -61.17 -36.27 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.297 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.686 ' HA ' HD11 ' A' ' 612' ' ' ILE . 20.6 t80 -65.57 -46.81 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.48 -33.63 73.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -75.03 -27.78 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' ' 610' ' ' ASN . 5.3 m-70 -120.82 -132.42 0.3 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.954 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 1.9 p30 168.63 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -110.14 29.26 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.177 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -53.19 -56.12 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.388 -178.742 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -59.34 -40.18 85.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.122 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.67 -36.94 83.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.282 0.563 . . . . 0.0 110.148 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.38 76.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.631 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.1 pt -73.5 -22.39 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.33 31.47 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 119.884 -1.15 . . . . 0.0 113.632 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 591' ' ' PHE . 19.0 mm -66.94 147.54 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.26 120.44 11.56 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.307 0.575 . . . . 0.0 110.124 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -66.35 -31.39 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.63 -177.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -64.79 -15.44 61.7 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.112 -0.368 . . . . 0.0 111.777 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -129.64 2.95 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.2 tp -53.17 -37.26 61.74 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.144 0.578 . . . . 0.0 112.436 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.37 91.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.122 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -35.97 79.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-85 -62.42 -46.84 86.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.783 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.84 -34.03 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.617 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.635 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -61.87 -47.3 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.531 . . . . 0.0 110.359 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.88 78.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.669 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.87 -49.32 78.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.405 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -64.95 -43.34 93.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -58.59 -43.83 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.372 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.783 ' HD1' HG13 ' A' ' 566' ' ' VAL . 19.0 t80 -61.98 -46.18 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.809 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -63.35 -38.26 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -45.24 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 110.348 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.57 HG23 ' HE2' ' A' ' 554' ' ' LYS . 24.1 mt -63.18 -46.4 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.71 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -43.78 81.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.409 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -35.48 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.619 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -69.19 -24.96 64.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.348 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -33.57 75.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.9 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -95.85 -5.81 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.269 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.739 ' HG ' HG22 ' A' ' 543' ' ' THR . 5.7 tp -71.65 128.16 90.08 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.955 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 N--CA 1.454 -0.796 0 C-N-CA 123.155 2.57 . . . . 0.0 112.234 179.155 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.409 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.804 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.2 152.97 44.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.362 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.423 ' HE2' HD21 ' B' ' 631' ' ' LEU . 26.2 m-85 -106.15 136.39 45.93 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.736 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -130.72 143.03 50.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.422 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.82 134.78 34.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.885 0.374 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.1 tp -119.71 135.93 54.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.53 119.9 32.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.082 0.467 . . . . 0.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -122.17 142.71 50.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.786 -179.64 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 155.56 26.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.647 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -56.97 -40.96 77.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.92 70.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.436 ' O ' HG23 ' B' ' 545' ' ' VAL . 65.1 mm-40 -78.74 -29.24 45.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.8 t80 -56.05 -49.64 73.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.91 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 543' ' ' THR . . . . . 1.035 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.08 -35.21 74.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -67.87 -41.27 83.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.609 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.7 t -69.24 -43.59 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.532 HG22 ' NH1' ' B' ' 635' ' ' ARG . 57.3 t -59.73 -50.82 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.975 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.754 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -62.26 -38.19 88.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.7 179.62 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -58.36 -47.71 82.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -72.31 -33.02 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.656 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.9 mmt85 -64.13 -45.42 88.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -67.81 -33.15 74.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.312 0.577 . . . . 0.0 110.402 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.22 -38.99 50.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.84 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 51.5 mttt -74.1 -52.22 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.28 111.38 51.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 1.02 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 84.9 Cg_exo -37.41 125.43 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.639 2.893 . . . . 0.0 114.207 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.59 10.02 0.94 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.909 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -135.5 124.42 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.062 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.75 -20.28 16.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -84.45 -40.15 18.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 0.0 110.058 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.5 p -111.11 124.02 33.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.669 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.867 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 36.4 Cg_exo -57.73 108.38 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.16 2.573 . . . . 0.0 112.556 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.76 -43.74 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.789 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 1.02 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 0.9 OUTLIER -56.1 -50.54 70.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.111 -178.259 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -68.99 -29.62 43.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.813 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -70.16 -40.82 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.382 -179.025 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.448 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 0.1 OUTLIER -72.9 -14.92 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.384 0.611 . . . . 0.0 110.249 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -18.84 43.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.895 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 566' ' ' VAL . 23.4 mt -76.07 135.85 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.286 0.565 . . . . 0.0 111.678 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -86.97 119.81 71.25 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.3 Cg_endo -67.79 23.34 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.195 0 C-N-CA 123.038 2.492 . . . . 0.0 112.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 570' ' ' LEU . 54.6 p -109.37 -16.21 14.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.952 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.45 -51.87 7.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.992 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 149.12 -139.07 7.24 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -116.45 -7.02 11.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.833 0.317 . . . . 0.0 110.834 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -45.97 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.002 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -36.89 85.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.69 0.281 . . . . 0.0 110.251 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.41 -42.27 98.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.721 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -66.78 -45.53 78.19 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.39 -38.53 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.323 0.582 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.92 -46.07 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.884 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.867 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 8.8 pt -89.38 7.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 63.13 39.27 10.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.648 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -100.43 45.95 0.97 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.684 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.66 59.66 2.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.914 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -170.4 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.629 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.34 -22.23 60.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.809 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.523 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.33 -25.49 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.708 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' B' ' 590' ' ' LEU . 0.7 OUTLIER -60.71 -33.61 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.159 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 589' ' ' VAL . 1.3 mm? -66.07 -39.41 90.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.788 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' B' ' 618' ' ' ILE . 82.6 m-85 -67.46 -43.9 79.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.446 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -37.41 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.15 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.59 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.349 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -79.48 -12.01 59.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.126 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.02 19.93 34.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.388 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' B' ' 575' ' ' LEU . 6.4 mt -101.15 94.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.564 0.221 . . . . 0.0 111.293 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.74 8.96 2.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 167.39 10.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.388 0.613 . . . . 0.0 112.219 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.49 144.47 29.53 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.957 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.47 -33.63 2.52 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.518 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.91 -41.44 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.86 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.62 -40.11 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.023 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.16 94.56 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 0.3 OUTLIER -68.19 -33.7 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.773 ' HA ' HD11 ' B' ' 612' ' ' ILE . 55.3 t80 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.249 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -40.85 95.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -77.72 -15.26 59.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.649 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.473 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 6.5 m-70 -130.81 -136.97 0.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 111.642 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.473 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 6.1 p30 171.27 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -111.13 27.58 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.885 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -53.54 -55.78 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.164 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -59.14 -40.05 84.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.118 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.39 88.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.084 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -41.95 95.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.41 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 46.1 pt -72.89 -22.23 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.7 28.52 3.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.21 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.9 mm -67.18 146.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 117.217 0.508 . . . . 0.0 110.0 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.21 121.5 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.609 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -60.26 -30.47 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -16.87 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.322 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 22.5 mtpt -122.45 -6.88 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.857 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 16.3 tp -52.91 -41.96 64.91 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -45.63 90.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -36.22 83.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.48 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 1.9 m-30 -63.26 -47.61 81.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.705 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.07 -35.44 81.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.343 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.556 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.1 OUTLIER -61.8 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.814 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.017 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -57.93 -49.02 78.19 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.539 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' B' ' 532' ' ' PHE . 1.0 OUTLIER -63.19 -44.25 95.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.412 ' O ' HG13 ' B' ' 636' ' ' ILE . 15.5 m -60.34 -46.93 88.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.769 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.813 ' HD1' HG13 ' B' ' 566' ' ' VAL . 8.6 t80 -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.42 -37.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.722 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.742 ' NE ' ' HA ' ' B' ' 635' ' ' ARG . 4.0 mmp_? -73.08 -44.47 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.527 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' B' ' 553' ' ' ALA . 56.6 mt -60.12 -46.72 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -46.96 81.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.472 -178.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.75 -35.5 70.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.639 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.22 -26.98 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.95 0.405 . . . . 0.0 111.153 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 640' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 24.5 mtt -69.76 -33.91 73.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.275 0.56 . . . . 0.0 109.889 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -6.01 41.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.113 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 1.035 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.3 tp -62.24 127.37 89.54 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.907 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.16 44.36 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.123 2.549 . . . . 0.0 110.691 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.253 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 627' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.109 0.48 . . . . 0.0 111.334 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.37 140.1 36.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 36.7 m-85 -88.71 134.35 33.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.108 0.48 . . . . 0.0 111.191 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 533' ' ' ARG . 0.0 OUTLIER -123.42 128.44 49.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.818 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 135.0 49.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.14 0.495 . . . . 0.0 111.312 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.2 tp -125.39 150.54 47.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.516 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.182 0.515 . . . . 0.0 110.276 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.17 140.74 50.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.203 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.458 ' HB2' ' OH ' ' B' ' 530' ' ' TYR . 0.1 OUTLIER -79.95 158.31 26.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.84 87.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.43 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 545' ' ' VAL . 45.8 mt-10 -72.82 -30.5 64.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 546' ' ' VAL . 62.6 t80 -56.55 -51.18 69.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.908 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.0 OUTLIER -67.48 -34.31 76.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.982 0.42 . . . . 0.0 110.91 -179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.79 89.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.064 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' B' ' 548' ' ' PHE . 93.9 t -71.45 -43.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.795 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.6 t -59.78 -49.38 84.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.064 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.59 -33.84 74.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.548 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.0 t80 -60.12 -49.93 75.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.766 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 14.3 mt -71.47 -27.76 63.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.44 76.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.109 0.48 . . . . 0.0 109.867 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 19.9 mmt180 -67.71 -41.9 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.975 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.42 -32.7 74.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.529 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.601 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -78.66 -25.71 44.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.891 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -80.03 -45.25 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.132 0.491 . . . . 0.0 111.586 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.525 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 2.5 m -103.51 162.1 21.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.378 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 10.4 Cg_endo -58.52 127.08 23.29 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 108.902 -1.23 . . . . 0.0 108.902 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 -20.47 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.82 157.18 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.514 ' CE3' HG23 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -116.89 28.75 8.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.272 -178.042 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.514 HG23 ' CE3' ' A' ' 560' ' ' TRP . 2.0 t -121.54 122.95 27.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.457 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 2.7 Cg_exo -75.99 79.1 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.052 2.502 . . . . 0.0 111.479 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.601 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.6 OUTLIER -66.85 -34.27 77.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.992 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -49.92 73.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.676 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.3 p -68.28 -32.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.626 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.827 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.54 -41.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -71.95 -19.86 61.83 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.428 0.632 . . . . 0.0 109.589 179.154 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.79 -20.09 47.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.589 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.8 mt -74.48 137.6 22.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.18 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -91.87 117.88 67.97 Favored Pre-proline 0 C--N 1.314 -0.978 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 570' ' ' LEU . 55.5 Cg_endo -69.15 22.55 0.15 Allowed 'Trans proline' 0 N--CA 1.471 0.166 0 C-N-CA 123.088 2.525 . . . . 0.0 111.915 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 50.1 p -109.68 -13.27 14.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.221 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -30.58 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.82 -148.31 19.96 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.51 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -117.86 -5.01 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 110.384 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -43.24 76.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.431 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.776 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.98 -37.39 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.96 -43.61 98.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.115 0.484 . . . . 0.0 109.847 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.2 m -64.02 -39.59 94.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.705 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -57.46 -41.62 80.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.599 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.7 pt -91.81 5.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.03 39.17 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.646 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -59.09 -65.4 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.655 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 104.78 -108.8 3.17 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.863 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.09 1.96 54.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.87 -24.31 67.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.407 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -26.0 64.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.275 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.12 -33.72 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.032 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.17 -39.51 89.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.558 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.5 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.5 m-85 -68.04 -44.2 76.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.356 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.9 t30 -60.0 -38.42 82.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.211 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.67 88.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.126 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -83.9 -12.0 56.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.243 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 96.13 4.59 59.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.996 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.8 mt -85.42 81.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 0.4 OUTLIER -134.33 30.17 3.58 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.113 0.482 . . . . 0.0 110.253 178.782 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.82 170.77 13.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.524 0.678 . . . . 0.0 112.597 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -83.47 135.93 34.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.21 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.6 -25.05 4.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.714 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.93 93.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.677 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.635 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.08 -41.44 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.183 0.516 . . . . 0.0 110.036 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' ARG . . . . . 0.431 ' HG3' ' HD2' ' A' ' 608' ' ' LYS . 0.2 OUTLIER -63.26 -46.33 87.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.517 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 13.0 mm-40 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.851 0.358 . . . . 0.0 110.204 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.62 ' HA ' HD11 ' A' ' 612' ' ' ILE . 9.5 t80 -66.26 -38.8 88.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.016 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.3 -42.42 99.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 608' ' ' LYS . . . . . 0.431 ' HD2' ' HG3' ' A' ' 604' ' ' ARG . 0.1 OUTLIER -78.61 -28.07 45.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.778 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 11.1 m-70 -116.28 -144.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.663 0.744 . . . . 0.0 112.948 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -176.6 -29.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.324 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -105.43 33.1 3.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.174 -1.375 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -56.38 -63.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.757 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -58.41 -39.61 80.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -41.93 99.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.219 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.9 pt -67.49 -24.31 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.68 29.11 3.47 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.605 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' A' ' 591' ' ' PHE . 20.2 mm -66.48 146.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.88 132.73 50.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.566 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -67.86 -28.47 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.761 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -12.41 60.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.198 0.523 . . . . 0.0 110.634 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 29.4 mtpt -120.82 -4.44 9.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.275 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.0 tp -53.87 -45.06 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.345 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -47.68 83.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.614 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -64.28 -37.51 87.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.0 m-85 -64.8 -49.91 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' TYR . . . . . 0.442 ' HB3' ' CD1' ' A' ' 530' ' ' TYR . 10.2 m-85 -65.7 -32.37 73.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.22 -51.14 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.436 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.11 78.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.384 0.611 . . . . 0.0 110.932 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.465 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -57.37 -48.77 78.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.108 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 631' ' ' LEU . 0.5 OUTLIER -67.16 -38.57 85.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.05 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.03 99.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 110.706 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -60.44 -46.08 91.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.26 -37.23 84.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.766 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -59.27 -45.42 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.518 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 567' ' ' SER . 8.3 mt -64.94 -48.95 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.805 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -58.02 -47.22 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.697 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 638' ' ' GLU . . . . . 0.597 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.1 OUTLIER -68.09 -35.76 78.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.652 0.263 . . . . 0.0 111.092 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 110.82 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.71 -30.13 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.37 0.605 . . . . 0.0 109.696 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -5.69 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.759 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.908 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.6 tp -61.8 130.41 92.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo . . . . . 0 C--N 1.344 0.314 0 C-N-CA 122.976 2.451 . . . . 0.0 112.043 179.444 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.458 ' OH ' ' HB2' ' A' ' 538' ' ' SER . 4.1 t80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.9 m -94.04 131.55 39.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.57 145.08 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.261 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -131.89 126.67 34.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.145 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.51 34.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.017 0.437 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -113.29 143.69 44.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 532' ' ' PHE . 0.9 OUTLIER -92.36 128.44 38.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.542 HD11 HG21 ' B' ' 545' ' ' VAL . 0.2 OUTLIER -119.83 125.54 48.8 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.253 -178.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -75.8 157.05 33.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.067 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -50.15 62.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.59 71.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.3 -28.88 65.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 546' ' ' VAL . 89.3 t80 -55.36 -51.39 66.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.259 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.768 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.69 -36.96 80.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.996 0.427 . . . . 0.0 110.899 -178.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -67.61 -44.69 77.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.542 HG21 HD11 ' B' ' 537' ' ' LEU . 54.3 t -69.78 -43.34 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.383 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.479 HG11 HD13 ' B' ' 642' ' ' LEU . 55.3 t -59.91 -50.34 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -67.3 -35.95 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.146 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.567 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.3 t80 -58.84 -50.89 72.3 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.644 0.259 . . . . 0.0 110.959 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 9.4 mt -71.84 -28.26 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.629 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 12.5 mmt85 -67.1 -42.91 83.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.697 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.9 -39.14 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.741 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.31 -23.51 51.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.358 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 7.3 mttt -77.04 -24.98 52.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.407 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 6.7 m -115.15 158.93 39.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -73.35 124.27 9.31 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 N-CA-C 108.806 -1.267 . . . . 0.0 108.806 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 16.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.466 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -112.15 149.95 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.486 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' B' ' 561' ' ' VAL . 0.0 OUTLIER -120.6 7.57 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -178.718 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' B' ' 560' ' ' TRP . 3.0 t -96.35 118.17 65.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 562' ' ' PRO . . . . . 0.703 ' HB2' HG12 ' B' ' 565' ' ' VAL . 56.6 Cg_endo -70.16 83.28 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.16 2.573 . . . . 0.0 111.165 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 563' ' ' THR . . . . . 0.543 HG22 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -68.93 -44.81 72.32 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.743 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -57.84 -50.22 74.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.703 HG12 ' HB2' ' B' ' 562' ' ' PRO . 7.5 p -69.26 -33.86 60.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.485 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.792 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.45 -41.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.3 p -74.18 -14.2 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.492 0.663 . . . . 0.0 110.166 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.68 -15.61 44.7 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.208 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 565' ' ' VAL . 5.8 mt -80.3 140.73 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.3 OUTLIER -92.18 121.9 65.83 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.113 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' B' ' 570' ' ' LEU . 61.6 Cg_endo -70.97 21.7 0.21 Allowed 'Trans proline' 0 C--O 1.224 -0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.598 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.456 ' H ' ' C ' ' B' ' 570' ' ' LEU . 46.3 p -108.12 -17.06 14.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.943 0.401 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.29 -39.45 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 152.01 -152.12 23.91 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.565 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.28 -12.65 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.917 0.358 . . . . 0.0 110.483 179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.45 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 577' ' ' ARG . . . . . 0.51 HH11 HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.63 -36.74 83.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.69 0.281 . . . . 0.0 110.429 178.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.56 -40.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -43.85 96.02 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.6 m -61.15 -41.39 96.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.878 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.5 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.5 -46.27 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.499 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' B' ' 584' ' ' ALA . 4.5 pt -85.42 4.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.099 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.92 38.06 24.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.256 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.439 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -63.28 -62.27 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.41 -110.25 2.68 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.381 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.49 14.81 26.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -23.92 67.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.212 0.529 . . . . 0.0 109.856 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.532 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.18 -25.25 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.518 178.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.463 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.35 -33.83 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.116 179.483 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.463 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -66.21 -38.97 89.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 91.7 m-85 -67.88 -43.24 79.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.258 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.49 80.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.239 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.42 87.37 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.082 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.489 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.9 t30 -80.92 -12.49 59.39 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.076 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.18 15.82 46.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.836 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.7 mt -98.08 95.73 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 111.086 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -148.25 15.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.09 174.01 10.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.527 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -79.63 147.76 31.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.373 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.26 -32.66 2.77 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.973 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -45.04 95.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.74 95.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.541 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.441 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 2.1 mt -68.29 -40.09 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.024 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -60.28 -46.83 88.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.422 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -64.34 -34.86 79.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.639 ' HA ' HD11 ' B' ' 612' ' ' ILE . 80.6 t80 -66.6 -38.81 87.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.387 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 607' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 54.5 mt-10 -66.98 -42.47 85.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.702 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -77.28 -26.91 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.149 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 21.7 m-70 -126.25 -138.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.362 0.601 . . . . 0.0 112.01 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.421 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 13.0 p30 174.27 -21.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.461 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -103.44 23.89 11.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.212 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -52.9 -57.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.184 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.27 -40.67 82.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.761 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.8 OUTLIER -66.24 -38.97 89.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.29 0.567 . . . . 0.0 110.219 178.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -66.26 -42.78 88.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.566 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.2 pt -70.96 -23.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 617' ' ' GLY . . . . . 0.401 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.1 28.39 3.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.027 -1.083 . . . . 0.0 113.763 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' B' ' 591' ' ' PHE . 19.4 mm -65.9 146.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 6.2 t70 -64.76 127.81 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.495 . . . . 0.0 110.96 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -58.8 -32.74 69.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.799 -178.599 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -6.89 49.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.819 0.342 . . . . 0.0 111.665 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.571 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 25.6 mtpt -122.66 -6.97 8.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' B' ' 614' ' ' GLU . 8.0 tp -54.52 -46.01 73.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -48.15 83.08 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.494 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.15 -35.87 82.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.089 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.571 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 3.3 m-30 -66.55 -50.14 64.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 627' ' ' TYR . . . . . 0.42 ' CE2' ' HG ' ' B' ' 623' ' ' LEU . 8.9 m-85 -63.89 -33.94 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.764 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' B' ' 561' ' ' VAL . 3.3 tp10 -61.25 -51.53 68.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -36.01 79.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.692 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.59 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -57.02 -48.74 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.823 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' B' ' 631' ' ' LEU . 1.7 mm? -64.96 -44.48 89.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.042 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.64 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 4.5 m -62.34 -41.77 98.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.307 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.792 ' HD1' HG13 ' B' ' 566' ' ' VAL . 27.8 t80 -62.27 -44.63 96.1 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.004 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.08 -40.11 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.862 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.3 OUTLIER -60.2 -44.94 94.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 633' ' ' PHE . 22.4 mt -59.92 -47.02 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 109.93 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.532 ' OE1' ' HG3' ' B' ' 571' ' ' PRO . 20.4 tp60 -59.95 -42.83 94.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -36.35 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.346 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.677 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.11 -24.52 67.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.47 -32.92 74.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 0.0 109.525 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -10.29 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.079 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.768 ' HG ' HG22 ' B' ' 543' ' ' THR . 5.1 tp -71.2 128.29 90.51 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.388 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.27 58.83 7.18 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.761 2.307 . . . . 0.0 111.292 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.103 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.925 0.393 . . . . 0.0 110.494 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 129.25 35.43 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.286 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.34 129.53 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.533 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' ARG . . . . . 0.451 HH11 ' HB3' ' A' ' 533' ' ' ARG . 0.6 OUTLIER -121.7 126.42 48.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.051 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.61 111.57 16.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.372 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' B' ' 542' ' ' TYR . 12.7 tp -101.88 134.87 44.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' THR . . . . . 0.474 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -92.36 120.66 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.87 0.367 . . . . 0.0 110.543 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.3 OUTLIER -121.34 143.99 48.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.962 -179.295 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' B' ' 532' ' ' PHE . 0.1 OUTLIER -81.19 155.55 26.1 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -39.16 81.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.8 76.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.25 -28.41 38.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.744 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.569 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.6 t80 -54.67 -46.79 74.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.857 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' THR . . . . . 1.001 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.34 -35.68 81.18 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.03 0.443 . . . . 0.0 111.72 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -42.95 94.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.613 HG22 ' HE2' ' B' ' 548' ' ' PHE . 38.7 t -71.64 -42.4 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.795 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 642' ' ' LEU . 43.5 t -60.6 -49.34 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.109 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 1.2 mm-40 -67.14 -33.57 75.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.184 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -60.11 -49.11 78.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.237 0.542 . . . . 0.0 110.14 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.5 mt -72.06 -26.33 62.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.638 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.37 80.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.7 mmt180 -63.27 -45.28 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.491 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.27 -21.16 50.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -83.54 -42.44 16.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.482 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.13 127.47 53.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.476 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 15.4 Cg_endo -56.83 127.33 25.4 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.035 1.823 . . . . 0.0 112.161 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -164.67 21.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.492 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 558' ' ' TYR . . . . . 0.41 ' HB3' HG13 ' A' ' 561' ' ' VAL . 6.1 m-30 -110.57 161.7 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.988 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.421 ' HB ' ' H ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -65.73 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.421 ' H ' ' HB ' ' A' ' 559' ' ' THR . 0.0 OUTLIER -70.83 -39.89 72.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 629' ' ' ALA . 1.4 p -76.49 123.52 87.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.824 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.669 ' HB2' HG12 ' A' ' 565' ' ' VAL . 2.9 Cg_exo -75.82 110.56 3.11 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.022 2.481 . . . . 0.0 110.575 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -42.34 70.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.721 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 0.4 OUTLIER -60.37 -47.09 87.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.669 HG12 ' HB2' ' A' ' 562' ' ' PRO . 5.3 p -65.06 -31.6 54.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.66 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.68 -41.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.541 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.97 -14.75 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.339 0.59 . . . . 0.0 109.939 179.225 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.52 -19.24 50.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.233 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 577' ' ' ARG . 20.4 mt -74.16 141.37 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.154 0.502 . . . . 0.0 110.643 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -90.63 117.0 67.65 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.455 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.625 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 38.1 Cg_endo -68.02 20.44 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.056 2.504 . . . . 0.0 112.056 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 570' ' ' LEU . 77.8 p -108.83 -6.64 15.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.633 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.96 -75.2 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 177.8 -148.19 8.52 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.777 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -111.61 2.88 17.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.956 0.407 . . . . 0.0 110.423 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.517 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.55 -45.71 81.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.526 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.93 -36.91 80.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 178.353 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.5 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.186 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -40.24 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.401 0.62 . . . . 0.0 109.607 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 68.7 m -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.775 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.0 84.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.153 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 584' ' ' ALA . 6.8 pt -88.83 3.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.938 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.35 40.69 24.12 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.741 0.651 . . . . 0.0 109.344 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -61.8 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.97 -179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.28 -111.81 3.03 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.381 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.55 19.02 10.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.58 -23.27 58.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.159 0.504 . . . . 0.0 110.345 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.54 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.82 -26.88 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.986 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.17 -33.38 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.505 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -67.78 -37.78 82.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.195 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' A' ' 618' ' ' ILE . 95.7 m-85 -67.84 -41.85 82.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.632 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.9 t-20 -60.29 -40.15 89.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.007 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.09 87.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.978 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.567 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.9 t30 -79.69 -11.26 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.247 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.82 19.16 48.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.106 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 575' ' ' LEU . 9.3 mt -87.98 -105.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.799 -0.2 . . . . 0.0 110.657 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.615 ' HA ' HD11 ' A' ' 575' ' ' LEU . 25.8 p90 55.81 -17.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 598' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.2 OUTLIER -111.31 173.85 6.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.074 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.412 ' HA ' ' SD ' ' A' ' 602' ' ' MET . 0.0 OUTLIER -79.33 159.86 27.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.11 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 600' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 604' ' ' ARG . . . 81.41 -47.96 3.72 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.844 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 596' ' ' ILE . 0.4 OUTLIER -60.93 -42.2 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.471 0.308 . . . . 0.0 111.427 -179.323 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.23 -42.95 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.624 0.25 . . . . 0.0 110.976 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.463 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.8 OUTLIER -68.72 -42.26 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.124 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 604' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -61.53 -44.23 97.42 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.341 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 605' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 608' ' ' LYS . 0.5 OUTLIER -65.32 -33.81 76.86 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.772 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.547 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.8 t80 -67.91 -36.74 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.668 0.747 . . . . 0.0 109.88 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.58 -45.14 91.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 608' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -78.53 -37.35 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.635 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 78.1 m-70 -129.73 141.79 50.82 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.55 12.67 21.33 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -123.68 18.31 9.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.769 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.848 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.3 OUTLIER -50.68 -61.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -58.29 -35.33 71.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 0.0 111.357 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.74 -46.43 72.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.032 0.444 . . . . 0.0 111.06 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 612' ' ' ILE . 5.0 ptm85 -71.26 -31.27 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 616' ' ' ILE . . . . . 0.476 HG22 ' HB2' ' A' ' 594' ' ' ASN . 35.1 pt -75.33 -25.3 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.282 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.48 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 106.89 34.31 3.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.12 -1.038 . . . . 0.0 114.107 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -65.7 149.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.09 121.0 11.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.316 0.579 . . . . 0.0 109.576 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -34.37 71.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -12.15 60.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.921 0.391 . . . . 0.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 21.7 mtpt -118.45 -9.41 10.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.578 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 623' ' ' LEU . . . . . . . . . . . . . 13.2 tp -52.87 -40.97 63.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -46.96 86.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.012 0.434 . . . . 0.0 111.876 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.6 79.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.519 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.6 m-85 -64.58 -48.69 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.973 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.95 -33.39 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.532 ' HG2' HG11 ' A' ' 561' ' ' VAL . 2.8 tp10 -61.65 -49.16 77.66 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' ALA . . . . . 0.739 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -67.62 -35.66 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.82 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.848 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.46 -48.37 80.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.256 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 1.1 mm? -60.16 -38.45 83.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 635' ' ' ARG . 9.1 m -63.04 -46.05 89.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.335 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.66 ' HD1' HG13 ' A' ' 566' ' ' VAL . 2.1 t80 -62.98 -38.95 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.35 -40.78 91.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.8 mtp180 -66.95 -46.05 75.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 567' ' ' SER . 31.9 mt -65.94 -45.87 89.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.357 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -41.88 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.616 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 638' ' ' GLU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.0 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.143 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.746 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.79 -23.05 67.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.127 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 7.5 mtt -66.41 -39.81 89.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.62 -6.28 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.602 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 1.001 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -65.23 125.1 88.69 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.858 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.576 0 C-N-CA 122.826 2.35 . . . . 0.0 110.985 178.455 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 138.18 49.07 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.455 ' HD1' ' HA ' ' A' ' 538' ' ' SER . 14.9 m-85 -85.64 141.14 30.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.323 0.582 . . . . 0.0 111.257 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 533' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -122.34 149.83 43.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.71 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 534' ' ' THR . . . . . 0.474 HG23 HG23 ' A' ' 536' ' ' THR . 0.1 OUTLIER -95.61 138.61 33.04 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 16.9 tp -124.91 150.69 46.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.728 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 120.05 31.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.171 0.51 . . . . 0.0 109.804 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -120.68 136.25 54.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.233 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -81.87 156.8 24.64 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.622 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -43.81 64.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.59 74.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -79.44 -28.93 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.502 ' CE1' HD13 ' A' ' 535' ' ' LEU . 82.8 t80 -56.32 -51.32 68.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.356 -178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.869 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.9 OUTLIER -63.01 -35.17 79.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.26 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -44.3 87.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.272 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.13 -44.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.215 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.0 t -59.7 -49.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.5 mm-40 -68.8 -36.44 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.613 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.79 -48.1 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.129 0.49 . . . . 0.0 110.005 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.588 ' HB3' ' NE ' ' B' ' 635' ' ' ARG . 19.8 mt -72.05 -26.77 62.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.181 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.47 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.1 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 8.2 mmt85 -65.45 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.774 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.1 -29.53 54.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.801 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -52.22 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.594 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -81.29 125.57 78.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.078 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.4 127.2 23.04 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.03 1.82 . . . . 0.0 111.889 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.72 19.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -98.61 161.43 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.123 0.487 . . . . 0.0 111.813 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -73.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.636 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.62 51.55 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 126.27 7.77 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.63 70.26 6.97 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.395 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 563' ' ' THR . . . . . 0.408 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -73.0 -20.65 60.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.159 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -48.03 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 569' ' ' ILE . 13.7 p -75.26 -30.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.0 109.946 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.7 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.1 t -65.83 -39.18 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.639 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.434 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -72.72 -14.34 61.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.234 0.54 . . . . 0.0 110.191 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.29 -11.07 47.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.832 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.586 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 49.6 mt -78.49 145.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.193 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' B' ' 573' ' ' GLU . 0.8 OUTLIER -101.0 120.26 55.83 Favored Pre-proline 0 N--CA 1.436 -1.139 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.161 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' B' ' 599' ' ' MET . 11.3 Cg_endo -56.24 -10.43 4.6 Favored 'Trans proline' 0 C--N 1.333 -0.264 0 C-N-CA 122.49 2.126 . . . . 0.0 112.495 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 30.1 p -79.87 -17.39 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.448 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 573' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 1.1 mt-10 -86.96 -1.16 57.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 91.43 166.84 40.49 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.133 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.475 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -72.22 -10.45 59.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -39.41 73.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.613 0.244 . . . . 0.0 110.946 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.172 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -64.73 -41.58 95.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.273 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.3 OUTLIER -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.529 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 73.9 m -61.39 -42.42 98.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.574 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.07 -43.64 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.827 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.6 pt -88.19 5.86 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 61.63 35.57 17.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.052 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -68.81 -55.61 10.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.67 -95.11 1.1 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.051 -0.595 . . . . 0.0 114.245 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -77.55 -13.29 59.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.737 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 2.6 m-20 -62.75 -25.61 68.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.724 0.297 . . . . 0.0 111.195 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.446 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.8 OUTLIER -60.4 -25.37 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 110.752 178.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -60.98 -33.3 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.47 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.57 -38.17 90.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.615 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' B' ' 618' ' ' ILE . 73.5 m-85 -68.49 -41.65 79.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.814 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -61.64 -37.22 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.829 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.79 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.145 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' B' ' 596' ' ' ILE . 8.2 t30 -79.43 -13.16 59.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.976 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.36 22.5 37.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.06 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.528 HG13 ' HB3' ' B' ' 594' ' ' ASN . 13.0 mt -85.58 -101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 597' ' ' TYR . . . . . 0.43 ' H ' ' HB ' ' B' ' 596' ' ' ILE . 21.4 p90 50.94 -3.32 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.07 173.75 6.23 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 9.6 ttt -80.85 135.67 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.93 -37.3 3.37 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.962 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 601' ' ' ASP . . . . . 0.411 ' HB3' HG23 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -58.85 -45.2 90.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -179.514 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.458 ' HB3' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.73 -41.34 96.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.476 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -43.48 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.764 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.39 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.406 ' HB3' HG21 ' B' ' 612' ' ' ILE . 43.1 mm-40 -63.1 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.977 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.678 ' HA ' HD11 ' B' ' 612' ' ' ILE . 2.1 t80 -66.1 -38.16 87.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.586 0.708 . . . . 0.0 110.217 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.27 -41.12 97.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -78.3 -38.75 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.915 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -131.25 139.46 49.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.414 ' HB2' ' CD2' ' B' ' 532' ' ' PHE . 2.2 p-10 -91.67 -6.67 51.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.965 0.412 . . . . 0.0 111.081 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 611' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 23.7 p-10 -125.77 42.54 3.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.125 0.488 . . . . 0.0 111.663 -178.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.799 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -57.04 -56.75 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.704 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.9 m-85 -58.2 -38.9 77.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.616 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -67.76 -36.98 81.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.265 0.555 . . . . 0.0 110.132 178.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 615' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.09 -42.68 75.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.507 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' B' ' 594' ' ' ASN . 48.5 pt -72.84 -22.41 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.32 4.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.001 -1.095 . . . . 0.0 114.021 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.0 mm -66.69 146.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.21 0.505 . . . . 0.0 109.757 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -64.66 126.47 28.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.027 0.442 . . . . 0.0 110.878 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -38.93 80.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.818 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -5.99 20.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 13.1 mtpt -126.35 -3.02 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.922 0.392 . . . . 0.0 110.845 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' B' ' 614' ' ' GLU . 3.7 tp -54.3 -44.63 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -48.15 82.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.456 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.11 -37.36 87.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.669 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.3 m-30 -65.76 -48.83 70.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.08 -37.36 87.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.756 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -48.53 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.38 83.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.496 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -56.61 -50.0 73.27 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.2 179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 1.1 mm? -64.13 -44.17 93.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.955 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 632' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 49.3 m -59.14 -44.33 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.165 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.7 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.7 t80 -61.36 -45.33 94.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.07 -42.23 94.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.588 ' NE ' ' HB3' ' B' ' 549' ' ' LEU . 2.7 mtp180 -60.84 -45.14 95.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' B' ' 567' ' ' SER . 70.5 mt -65.5 -44.61 94.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -41.42 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.01 -34.85 66.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.753 0.311 . . . . 0.0 110.327 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.93 -26.43 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.73 -38.5 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.599 0.714 . . . . 0.0 109.524 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -9.33 54.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.243 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -64.55 120.89 69.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.122 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 9.2 Cg_endo -86.58 66.24 4.74 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.191 2.594 . . . . 0.0 110.739 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' B' ' 644' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.534 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.752 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.2 p90 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.644 0.259 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.38 135.44 33.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.216 0.531 . . . . 0.0 112.332 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 532' ' ' PHE . . . . . 0.422 ' HE2' HD21 ' A' ' 631' ' ' LEU . 3.8 m-85 -92.39 141.67 28.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.419 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -128.34 148.34 50.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.964 0.411 . . . . 0.0 111.44 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.48 98.38 7.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.795 178.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -88.03 142.62 27.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.651 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.54 121.6 33.37 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.4 mm? -120.26 133.13 55.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.509 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 87.7 p -84.81 156.4 21.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.39 -29.9 59.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.011 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.07 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -83.58 -28.16 28.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.339 . . . . 0.0 110.742 179.301 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' B' ' 535' ' ' LEU . 77.6 t80 -52.73 -48.43 66.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.704 -177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.761 HG22 ' HG ' ' A' ' 642' ' ' LEU . 40.0 p -66.03 -33.44 75.81 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.825 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -43.39 83.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.035 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 541' ' ' GLU . 26.3 t -70.98 -44.78 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 111.808 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.7 t -59.96 -48.5 87.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.775 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -67.09 -33.39 75.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.311 -179.646 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.544 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.1 t80 -61.49 -49.74 75.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.8 mt -71.02 -30.36 66.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.796 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.29 73.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.447 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.6 mmt180 -63.8 -49.2 73.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.532 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.51 -32.54 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -74.33 -23.56 59.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.52 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' LYS . . . . . 0.425 ' HA ' ' OG ' ' A' ' 567' ' ' SER . 18.7 mttt -92.78 -47.75 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.981 0.42 . . . . 0.0 110.404 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.22 116.29 59.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.692 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.32 129.34 33.09 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.148 2.565 . . . . 0.0 112.646 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -25.53 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.475 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -148.39 149.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.6 m -89.2 99.98 12.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.071 0.462 . . . . 0.0 110.372 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 20.2 t90 -165.68 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.211 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.4 p -127.9 128.48 23.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.172 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.66 ' HG2' ' HA ' ' A' ' 582' ' ' ILE . 5.2 Cg_exo -76.14 61.92 6.64 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.881 2.387 . . . . 0.0 111.828 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' THR . . . . . 0.442 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -73.51 -26.96 61.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.873 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 564' ' ' GLN . . . . . 0.508 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.46 -44.13 80.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.717 0.294 . . . . 0.0 111.676 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.578 HG13 ' HB1' ' A' ' 581' ' ' ALA . 7.5 p -78.91 -25.38 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.766 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -69.21 -38.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.142 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' SER . . . . . 0.477 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -71.6 -13.95 61.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.392 0.615 . . . . 0.0 110.343 179.564 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -19.89 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.996 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -90.5 146.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 111.657 -179.416 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -102.34 138.02 19.58 Favored Pre-proline 0 C--N 1.313 -0.999 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.708 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 570' ' ' LEU . 40.3 Cg_endo -68.91 19.58 0.15 Allowed 'Trans proline' 0 C--N 1.334 -0.23 0 C-N-CA 122.374 2.05 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.674 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 19.1 p -107.71 -11.3 15.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.039 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.2 OUTLIER -97.36 6.15 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.282 0.563 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 101.34 -156.13 19.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.559 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -119.14 -11.28 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.788 0.294 . . . . 0.0 110.999 179.464 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -38.62 67.87 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.441 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.63 -37.63 85.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.708 179.749 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -63.08 -38.89 93.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.667 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -64.94 -44.8 88.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 23.9 m -61.87 -37.32 84.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.715 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 581' ' ' ALA . . . . . 0.578 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.36 -45.56 80.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.66 ' HA ' ' HG2' ' A' ' 562' ' ' PRO . 5.2 pt -93.37 5.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 62.82 39.38 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.661 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -117.37 52.51 0.97 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.332 0.587 . . . . 0.0 110.123 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.75 -12.74 67.95 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.477 -0.783 . . . . 0.0 114.664 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.87 -22.35 20.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.893 0.847 . . . . 0.0 110.537 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.6 -22.9 58.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.632 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.75 -25.3 60.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.582 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.519 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -59.23 -34.15 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.044 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.519 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -65.44 -39.32 91.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.728 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.584 ' CE1' HD11 ' A' ' 618' ' ' ILE . 79.7 m-85 -68.61 -43.83 75.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.518 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -57.86 -44.45 86.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.496 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.9 82.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.567 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -81.36 -12.47 58.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.635 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.12 36.17 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.543 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -104.05 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.752 0.311 . . . . 0.0 110.606 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -150.18 13.15 0.77 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.982 0.42 . . . . 0.0 110.563 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.14 172.45 6.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.674 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.34 136.97 35.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.318 -179.622 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -23.41 2.26 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.613 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.9 OUTLIER -57.81 -45.08 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.08 0.552 . . . . 0.0 111.42 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 25.0 ttp -61.8 -46.05 91.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.632 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.93 -40.02 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.707 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -61.81 -47.22 86.11 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -64.73 -33.9 77.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.0 110.112 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 612' ' ' ILE . 31.7 t80 -64.73 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.041 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -41.43 97.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -77.75 -27.41 50.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.522 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.457 ' HB2' HG13 ' A' ' 612' ' ' ILE . 74.7 m-70 -119.24 -147.04 0.39 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.969 0.414 . . . . 0.0 111.326 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.426 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.7 p-10 -168.45 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.73 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.05 41.0 3.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.988 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.0 OUTLIER -55.2 -52.45 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.363 -179.393 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.2 m-85 -59.89 -41.99 92.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.145 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.86 92.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.463 0.649 . . . . 0.0 110.295 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -42.47 75.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.92 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.2 pt -67.6 -25.68 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 114.44 32.13 2.03 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.153 -1.022 . . . . 0.0 113.508 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.63 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.989 0.395 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 128.77 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.356 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.706 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.99 -23.03 67.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.047 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -18.59 62.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -118.42 -6.03 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 13.7 tp -54.68 -44.6 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.557 0.536 . . . . 0.0 112.378 -178.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -47.87 82.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.283 0.563 . . . . 0.0 111.502 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -69.37 -33.69 73.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.418 0.627 . . . . 0.0 109.734 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.53 69.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.755 -1.112 . . . . 0.0 111.695 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -65.84 -31.85 73.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.59 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.7 -50.16 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.309 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.425 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.467 ' HE2' HD13 ' A' ' 612' ' ' ILE . 1.3 t80 -63.1 -50.49 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.737 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.575 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 3.4 mm? -66.7 -40.8 88.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.711 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 50.8 m -60.94 -39.14 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.931 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.766 ' HD1' HG13 ' A' ' 566' ' ' VAL . 28.0 t80 -63.51 -45.92 88.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.46 -38.18 83.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -65.62 -41.75 92.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.542 HD11 ' HB1' ' A' ' 553' ' ' ALA . 76.7 mt -61.54 -47.28 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 109.997 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 637' ' ' GLN . 8.1 tp60 -61.13 -42.93 99.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.161 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.26 -38.55 90.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.558 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -63.24 -27.03 69.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.507 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.8 mmm -68.57 -32.92 73.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.306 0.574 . . . . 0.0 109.717 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -4.94 45.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.949 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.761 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -57.67 123.51 63.17 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.163 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 C-N-CA 122.815 2.343 . . . . 0.0 112.348 179.703 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.535 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.24 138.83 52.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.24 0.543 . . . . 0.0 110.622 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 532' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 9.1 m-85 -89.24 131.68 35.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.386 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 147.71 51.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 137.9 34.52 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 120.935 0.398 . . . . 0.0 110.477 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.9 tp -118.03 143.74 46.17 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.43 120.59 32.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.035 0.445 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.585 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -123.71 126.69 46.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.104 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 538' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -81.97 155.04 25.42 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.237 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.752 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.63 -40.71 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.67 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -63.35 -46.67 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -81.29 -27.64 34.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.441 . . . . 0.0 111.086 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.585 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 67.4 t80 -53.42 -51.44 62.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.37 -177.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.895 HG22 ' HG ' ' B' ' 642' ' ' LEU . 24.6 p -64.6 -35.81 82.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.021 0.439 . . . . 0.0 110.733 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -66.72 -44.54 81.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.147 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.44 HG21 HD11 ' B' ' 537' ' ' LEU . 20.9 t -70.4 -45.3 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.525 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.3 t -59.65 -50.8 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.768 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -68.52 -32.79 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.504 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.14 -47.29 83.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.7 mt -72.19 -35.52 68.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.093 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.34 73.91 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.825 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.768 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 19.7 mmt85 -65.04 -43.27 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.65 -34.03 76.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.364 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.02 -32.97 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.972 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -74.8 -57.9 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 110.017 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.48 122.11 58.29 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.789 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 556' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 18.6 Cg_endo -57.69 127.5 25.52 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.38 2.054 . . . . 0.0 111.622 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -125.93 -10.94 6.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.665 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.47 131.09 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.47 109.55 19.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -174.39 -55.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.057 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.47 133.0 22.82 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.214 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.82 69.18 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.783 2.322 . . . . 0.0 112.028 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -36.92 80.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.565 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -56.67 -49.12 76.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.499 -179.167 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.586 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -69.96 -32.35 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.163 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.868 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.4 t -65.01 -42.77 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.405 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.424 0.63 . . . . 0.0 109.557 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.1 -25.43 62.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.9 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 569' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' B' ' 566' ' ' VAL . 18.5 mt -76.83 130.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.58 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -87.22 122.38 70.96 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 176.375 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' B' ' 570' ' ' LEU . 26.1 Cg_endo -64.61 6.91 0.28 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.067 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.81 ' HA ' ' HB2' ' B' ' 599' ' ' MET . 54.6 p -95.92 -3.63 44.91 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 573' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.8 OUTLIER -102.66 2.6 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.364 0.602 . . . . 0.0 109.629 178.364 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 105.94 -144.18 15.79 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.331 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -126.97 -2.3 6.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.766 0.283 . . . . 0.0 111.206 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -45.02 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.844 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.0 -47.12 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -61.84 -42.13 98.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.36 0.6 . . . . 0.0 109.578 178.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.0 m -62.52 -39.64 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.2 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -58.37 -41.52 84.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.136 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.532 ' HB ' ' HE3' ' B' ' 625' ' ' LYS . 5.4 pt -95.23 5.27 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt 61.77 42.01 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.639 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -120.41 55.71 1.01 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -79.6 24.05 3.32 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.725 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -122.39 -27.32 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.79 0.805 . . . . 0.0 109.681 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.72 -20.5 59.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.25 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.581 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.33 -25.91 50.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.885 179.739 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.559 HG12 HD22 ' B' ' 590' ' ' LEU . 1.6 p -58.99 -34.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.119 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.559 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.64 -36.6 82.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.065 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.581 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 87.3 m-85 -67.44 -42.75 82.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.751 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.36 -35.47 73.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.364 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.79 91.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.33 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 594' ' ' ASN . . . . . 0.854 HD22 HD11 ' B' ' 596' ' ' ILE . 56.3 t30 -79.76 -11.93 59.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.34 20.59 29.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.23 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.854 HD11 HD22 ' B' ' 594' ' ' ASN . 2.9 mt -100.5 90.18 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.64 0.257 . . . . 0.0 110.887 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.61 12.11 2.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.067 0.46 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.37 173.83 8.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.215 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.81 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 3.9 ptt? -80.32 152.71 28.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -41.45 1.81 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -39.46 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.805 0.442 . . . . 0.0 111.85 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.1 ttm -58.69 -48.85 79.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.319 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 603' ' ' ILE . . . . . 0.759 HG12 ' HG2' ' B' ' 637' ' ' GLN . 1.1 mp -69.78 -41.91 79.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.384 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -58.55 -42.02 86.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.684 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 605' ' ' GLU . . . . . 0.803 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -65.06 -33.33 75.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.936 ' HA ' HD11 ' B' ' 612' ' ' ILE . 76.7 t80 -67.31 -39.25 85.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.708 0.289 . . . . 0.0 110.546 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 607' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 21.5 mt-10 -72.94 -44.74 60.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.16 0.505 . . . . 0.0 110.49 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -77.4 -29.41 53.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.515 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 8.0 m-70 -123.89 -50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 11.2 t-20 77.05 -43.17 0.43 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.211 0.604 . . . . 0.0 111.38 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 611' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 14.1 t70 -93.36 33.31 1.24 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.936 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.4 OUTLIER -60.08 -56.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.984 -178.277 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 613' ' ' PHE . . . . . 0.415 ' HB3' HG13 ' B' ' 618' ' ' ILE . 2.1 m-85 -57.96 -41.56 83.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 614' ' ' GLU . . . . . 0.451 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.9 OUTLIER -68.2 -36.29 79.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.0 110.049 178.624 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 615' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 1.6 ttt-85 -70.18 -42.35 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.798 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 616' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' B' ' 594' ' ' ASN . 34.3 pt -68.27 -26.38 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 617' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.32 35.6 2.09 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.623 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.9 mm -65.88 144.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.24 136.65 56.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -64.19 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.015 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -15.95 63.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 111.24 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 5.4 mtmp? -117.02 -10.31 10.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 11.2 tp -54.5 -45.22 73.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -47.95 82.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 625' ' ' LYS . . . . . 0.532 ' HE3' ' HB ' ' B' ' 582' ' ' ILE . 0.2 OUTLIER -70.28 -34.02 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.429 0.633 . . . . 0.0 109.74 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 626' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' B' ' 622' ' ' LYS . 0.2 OUTLIER -59.72 -52.99 63.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.373 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.16 -32.64 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -50.67 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.18 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.09 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.31 -49.29 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.491 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 3.7 mm? -62.88 -44.87 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 17.4 m -62.5 -37.11 84.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.552 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.5 OUTLIER -64.98 -41.52 95.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.886 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.7 -38.16 84.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.378 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.476 HD11 ' HB1' ' B' ' 553' ' ' ALA . 28.2 mt -65.41 -45.66 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.319 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.759 ' HG2' HG12 ' B' ' 603' ' ' ILE . 9.2 tp60 -57.6 -42.81 83.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.315 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.14 -35.0 79.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.199 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.655 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -62.96 -28.58 70.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.5 mtt -69.67 -23.28 63.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 109.455 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 641' ' ' LYS . . . . . 0.524 ' HE3' ' HG3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -95.79 -5.9 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.613 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.895 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.3 OUTLIER -64.23 119.67 58.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.708 -179.15 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.84 -7.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.839 2.359 . . . . 0.0 111.947 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.432 ' HB2' HG21 ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.565 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 530' ' ' TYR . . . . . 0.642 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.47 121.57 13.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.939 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.02 128.88 35.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 137.88 53.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.949 0.404 . . . . 0.0 111.264 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 104.63 16.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.943 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 535' ' ' LEU . . . . . 0.492 HD22 ' HE1' ' B' ' 542' ' ' TYR . 1.7 tp -105.07 150.25 25.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.175 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.54 121.95 32.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.348 0.594 . . . . 0.0 109.711 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 537' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.0 OUTLIER -110.2 129.04 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.209 -179.017 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.648 ' HB2' ' CE1' ' B' ' 530' ' ' TYR . 85.8 p -78.56 157.6 28.74 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -28.09 63.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.35 -48.0 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 541' ' ' GLU . 0.5 OUTLIER -82.62 -27.67 31.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 542' ' ' TYR . . . . . 0.563 ' HA ' HD12 ' A' ' 537' ' ' LEU . 70.2 t80 -52.89 -50.2 64.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.883 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.997 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.2 p -66.99 -34.96 78.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.32 0.581 . . . . 0.0 110.76 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.9 -44.4 85.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.24 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' B' ' 549' ' ' LEU . 54.3 t -71.39 -44.22 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.678 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 52.3 t -59.72 -49.5 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.942 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -65.78 -34.27 77.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.096 -179.404 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 548' ' ' PHE . . . . . 0.598 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.1 t80 -59.21 -51.53 69.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.182 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' LEU . . . . . 0.632 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.1 mt -72.27 -27.53 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.716 0.293 . . . . 0.0 111.33 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 551' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.2 mmt85 -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.434 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.425 ' HG3' ' HA ' ' A' ' 549' ' ' LEU . 2.0 mt-10 -67.94 -32.15 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.275 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.86 -38.69 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.75 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -71.37 -55.57 7.72 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 72.4 t -94.44 118.55 66.97 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 556' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 3.5 Cg_endo -46.26 124.19 7.42 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.548 2.165 . . . . 0.0 113.126 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -141.84 6.49 1.81 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.057 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.62 124.73 51.68 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.348 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -21.03 17.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.497 0.665 . . . . 0.0 110.029 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.412 ' HZ3' ' CA ' ' A' ' 625' ' ' LYS . 2.7 t90 -80.24 -45.7 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.761 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 4.3 p -127.24 131.89 24.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.036 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 45.9 Cg_exo -57.46 129.9 36.31 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 111.752 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.44 -35.63 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.9 78.34 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.66 -30.76 49.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.31 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.2 t -70.7 -40.63 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.44 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -14.14 61.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.405 0.621 . . . . 0.0 110.127 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -10.97 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.59 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.589 HG12 ' HD2' ' A' ' 577' ' ' ARG . 2.7 mt -90.45 145.5 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.694 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.9 OUTLIER -94.39 123.52 58.3 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 571' ' ' PRO . . . . . 0.694 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.7 Cg_endo -65.6 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.142 2.562 . . . . 0.0 113.078 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 570' ' ' LEU . 21.8 p -103.34 -8.55 20.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.35 0.595 . . . . 0.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.28 -118.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.648 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.446 ' HA3' ' OE1' ' A' ' 576' ' ' GLU . . . -143.02 159.86 27.47 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.217 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -68.88 -3.9 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.446 ' OE1' ' HA3' ' A' ' 574' ' ' GLY . 5.7 pm0 -55.62 -40.03 71.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.713 0.292 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' ARG . . . . . 0.589 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.73 -41.26 75.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.007 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -65.37 -42.73 92.42 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.787 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -60.33 -37.6 81.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.111 0.481 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.45 75.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.514 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 582' ' ' ILE . . . . . 0.477 ' HB ' ' HE2' ' A' ' 625' ' ' LYS . 7.7 pt -102.38 9.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.417 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 41.37 6.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -102.73 54.01 0.78 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.672 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -66.63 -16.41 65.54 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.727 -0.669 . . . . 0.0 114.073 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -111.15 -28.87 8.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.805 0.803 . . . . 0.0 111.743 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' ASP . . . . . 0.57 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.5 m-20 -64.62 -23.19 67.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.636 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 588' ' ' SER . . . . . 0.518 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -58.65 -26.06 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.491 179.171 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.69 -33.87 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.45 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 590' ' ' LEU . . . . . 0.456 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.55 -37.76 88.56 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.552 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 618' ' ' ILE . 80.1 m-85 -68.67 -41.39 79.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.404 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.47 -40.86 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.352 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.63 83.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.274 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -81.5 -10.13 59.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.125 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.93 40.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.394 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 591' ' ' PHE . 15.7 mt -89.78 -97.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 122.156 0.182 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 575' ' ' LEU . 21.3 p90 54.1 -2.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.528 1.531 . . . . 0.0 115.025 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.63 147.71 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.138 0.426 . . . . 0.0 110.526 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 599' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -81.08 143.09 32.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 96.92 -42.31 2.2 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -39.99 92.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.92 -0.64 . . . . 0.0 109.503 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' MET . . . . . 0.42 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.95 -34.48 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.485 178.638 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 603' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -67.92 -39.87 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -44.18 91.52 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.849 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.74 -33.91 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.02 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' A' ' 612' ' ' ILE . 47.0 t80 -66.81 -38.04 85.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.125 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.38 -42.93 74.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.65 -36.91 65.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.483 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 52.4 m-70 -118.37 -138.18 0.35 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.448 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 2.6 p30 -173.11 -32.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 615' ' ' ARG . 2.5 t0 -105.56 39.36 1.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.272 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.9 OUTLIER -54.68 -55.13 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.316 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 613' ' ' PHE . . . . . 0.46 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.1 m-85 -58.43 -44.49 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.69 84.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.19 0.519 . . . . 0.0 110.306 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 611' ' ' ASP . 0.2 OUTLIER -66.32 -43.04 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.306 -179.507 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 40.8 pt -71.86 -23.62 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.27 30.64 2.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.112 -1.042 . . . . 0.0 113.747 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.518 HD11 ' CE1' ' A' ' 591' ' ' PHE . 24.1 mm -68.77 145.69 13.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 116.969 0.385 . . . . 0.0 110.212 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 622' ' ' LYS . 21.0 t70 -65.32 130.56 43.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 111.146 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' SER . . . . . 0.795 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -68.58 -30.96 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.023 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -13.97 60.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.721 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.762 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 31.1 mtmt -127.88 3.17 5.98 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' LEU . . . . . 0.795 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.4 tp -53.85 -44.75 70.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.002 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 628' ' ' GLU . 0.0 OUTLIER -59.99 -46.99 87.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.98 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 625' ' ' LYS . . . . . 0.762 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -63.91 -37.58 87.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.254 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 626' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 2.8 m-85 -67.18 -48.72 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.097 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -65.33 -35.27 80.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HB3' HG11 ' A' ' 561' ' ' VAL . 1.6 tp10 -59.87 -49.0 79.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.347 0.594 . . . . 0.0 110.611 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.81 -35.28 78.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.903 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' PHE . . . . . 0.678 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -60.17 -49.93 75.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.412 -179.557 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 631' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 631' ' ' LEU . 2.5 mm? -63.13 -43.89 97.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 111.152 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.561 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 19.2 m -63.04 -37.6 87.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD2' HG13 ' A' ' 566' ' ' VAL . 15.6 t80 -65.47 -45.08 85.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.96 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.16 -38.33 82.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.632 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.52 -41.01 98.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.591 HD11 ' HB1' ' A' ' 553' ' ' ALA . 53.2 mt -63.38 -48.67 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -41.62 89.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.579 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.81 -41.19 87.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.98 -26.77 68.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.566 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -35.5 74.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.798 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -4.8 43.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.997 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -56.42 119.88 31.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.615 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 643' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 54.1 Cg_endo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 123.62 2.88 . . . . 0.0 110.901 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 530' ' ' TYR . . . . . 0.648 ' CE1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 133.7 51.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.145 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.08 131.98 34.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.43 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -109.79 128.38 55.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.734 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.41 111.86 17.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 535' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 542' ' ' TYR . 17.5 tp -100.84 139.75 36.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.91 120.9 33.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.301 0.572 . . . . 0.0 111.091 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 537' ' ' LEU . . . . . 0.458 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -121.92 124.42 44.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.496 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.6 156.05 25.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 539' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -50.46 -44.85 55.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.38 89.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 541' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -82.48 -29.65 30.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.938 0.399 . . . . 0.0 111.469 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 542' ' ' TYR . . . . . 0.492 ' HE1' HD22 ' A' ' 535' ' ' LEU . 76.9 t80 -54.21 -52.51 61.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 543' ' ' THR . . . . . 0.807 HG22 ' HG ' ' B' ' 642' ' ' LEU . 29.8 p -62.99 -37.2 86.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.916 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.88 -44.71 80.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 545' ' ' VAL . . . . . 0.443 HG22 ' HE2' ' A' ' 548' ' ' PHE . 97.9 t -70.79 -43.93 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.382 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 546' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' B' ' 639' ' ' ALA . 54.1 t -59.94 -49.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.998 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 547' ' ' GLU . . . . . 0.771 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.22 -36.48 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.551 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -58.3 -47.13 84.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.781 -179.309 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 16.2 mt -71.22 -29.91 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.23 76.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.628 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 551' ' ' ARG . . . . . 0.771 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt85 -66.96 -42.82 84.53 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.262 0.553 . . . . 0.0 109.67 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 552' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 557' ' ' ARG . 0.1 OUTLIER -62.88 -43.25 99.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.011 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' B' ' 636' ' ' ILE . . . -77.68 -17.93 57.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.994 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -80.44 -52.12 8.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.102 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 4.1 m -85.28 155.54 60.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.991 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -65.4 124.1 12.41 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 108.92 -1.223 . . . . 0.0 108.92 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 557' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' B' ' 552' ' ' GLU . 1.5 ttt180 -167.0 23.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.347 0.594 . . . . 0.0 110.038 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -142.66 132.45 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.774 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -27.92 9.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.033 0.444 . . . . 0.0 111.056 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 560' ' ' TRP . . . . . 0.746 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 22.7 t90 -78.73 -39.9 35.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.626 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 561' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.5 p -118.64 127.49 26.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.78 63.46 8.74 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.763 2.309 . . . . 0.0 112.468 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 563' ' ' THR . . . . . 0.416 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -74.7 -19.37 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.299 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -58.52 -40.2 82.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.803 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' B' ' 581' ' ' ALA . 8.0 p -81.4 -21.36 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 566' ' ' VAL . . . . . 0.786 HG13 ' HD2' ' B' ' 633' ' ' PHE . 1.2 t -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.976 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 567' ' ' SER . . . . . 0.423 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.85 -14.08 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.235 0.541 . . . . 0.0 110.502 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -19.23 53.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 569' ' ' ILE . . . . . . . . . . . . . 1.6 mt -82.47 145.49 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.315 0.578 . . . . 0.0 111.326 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 570' ' ' LEU . . . . . 0.708 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -93.81 126.97 47.43 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.852 178.008 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 571' ' ' PRO . . . . . 0.817 ' HA ' ' HG3' ' B' ' 599' ' ' MET . 44.3 Cg_endo -69.97 15.82 0.24 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.922 2.414 . . . . 0.0 112.044 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 570' ' ' LEU . 81.3 p -102.51 -4.79 24.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.142 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -104.29 -130.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.442 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 574' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' B' ' 599' ' ' MET . . . -115.57 -153.83 10.36 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.619 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 575' ' ' LEU . . . . . 0.616 HD22 ' SD ' ' B' ' 602' ' ' MET . 0.0 OUTLIER -115.54 -2.33 12.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.978 0.418 . . . . 0.0 110.322 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.35 -42.69 74.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -37.36 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.23 -44.98 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.474 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 579' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.32 -44.15 88.75 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.402 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 37.6 m -60.57 -37.16 80.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.168 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 581' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.94 -43.14 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.492 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 582' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.4 pt -94.58 9.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.22 40.91 14.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.24 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 584' ' ' ALA . . . . . 0.527 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -97.82 49.89 1.03 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.839 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.25 62.63 2.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 179.32 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.409 0.624 . . . . 0.0 109.525 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 587' ' ' ASP . . . . . 0.499 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 12.4 m-20 -65.17 -24.69 67.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.051 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 588' ' ' SER . . . . . 0.568 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -25.9 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 589' ' ' VAL . . . . . 0.471 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -62.18 -33.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.369 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 590' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -65.39 -38.82 91.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.566 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 591' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 85.0 m-85 -67.99 -41.53 82.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.159 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 592' ' ' ASN . . . . . 0.439 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 5.5 t-20 -62.46 -40.49 96.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.279 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.46 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.842 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.31 -11.77 59.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.349 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 88.43 17.5 56.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.639 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 596' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 591' ' ' PHE . 17.4 mt -81.73 -95.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 597' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' B' ' 575' ' ' LEU . 40.7 p90 52.15 -5.34 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 598' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.09 147.65 36.86 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.662 -0.649 . . . . 0.0 110.41 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 599' ' ' MET . . . . . 0.817 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.44 150.92 28.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 94.97 -46.41 2.06 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.27 -35.98 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.366 0.603 . . . . 0.0 109.426 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 602' ' ' MET . . . . . 0.616 ' SD ' HD22 ' B' ' 575' ' ' LEU . 3.3 ttp -62.56 -39.26 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -41.36 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.362 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -62.52 -43.32 99.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.653 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.79 -36.11 82.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.125 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 606' ' ' PHE . . . . . 0.642 ' HA ' HD11 ' B' ' 612' ' ' ILE . 35.3 t80 -65.85 -41.15 92.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.31 -42.58 88.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.718 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -76.22 -30.48 57.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 41.8 m-70 -117.55 -138.27 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 1.2 p30 175.23 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -102.91 34.21 2.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.553 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 612' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -57.63 -61.28 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.124 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.75 -41.67 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.366 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.85 -37.05 83.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.272 0.558 . . . . 0.0 110.27 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.39 -42.27 92.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.19 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 38.3 pt -73.07 -23.72 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.794 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.25 3.87 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.836 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 618' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.8 mm -66.44 146.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.58 ' HB3' ' HE2' ' B' ' 622' ' ' LYS . 8.6 t0 -64.66 120.31 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.773 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.5 m -71.24 -14.99 62.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.685 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.8 -18.69 61.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.863 -0.523 . . . . 0.0 110.398 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 622' ' ' LYS . . . . . 0.58 ' HE2' ' HB3' ' B' ' 619' ' ' ASP . 15.8 mtmt -128.38 2.6 5.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 623' ' ' LEU . . . . . 0.773 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 13.4 tp -53.01 -36.96 61.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.396 0.678 . . . . 0.0 112.608 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 624' ' ' SER . . . . . 0.746 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -59.02 -47.39 85.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.947 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.92 82.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.78 -47.43 85.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.699 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.03 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 628' ' ' GLU . . . . . 0.761 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.6 tp10 -60.86 -48.77 80.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 109.716 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.56 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.435 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 630' ' ' PHE . . . . . 0.561 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.3 t80 -58.94 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 631' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.2 mm? -64.24 -44.15 92.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -60.55 -42.38 96.43 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 633' ' ' PHE . . . . . 0.786 ' HD2' HG13 ' B' ' 566' ' ' VAL . 14.4 t80 -63.5 -37.83 88.82 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.202 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -60.08 -41.72 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.369 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 635' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 27.3 mmt180 -66.55 -46.22 76.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 636' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 640' ' ' MET . 77.0 mt -60.83 -45.56 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -58.34 -46.26 86.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 638' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -65.78 -39.99 91.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.518 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 639' ' ' ALA . . . . . 0.576 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.62 -27.09 68.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.309 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 640' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 21.1 mtt -67.5 -33.28 74.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.271 0.558 . . . . 0.0 109.835 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -4.88 42.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.288 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 642' ' ' LEU . . . . . 0.807 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 tp -53.01 114.72 6.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.731 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 643' ' ' PRO . . . . . 0.445 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 83.9 Cg_endo -94.48 -144.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.294 2.663 . . . . 0.0 111.26 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 644' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.592 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.089 0.471 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -176.85 -61.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' B' ' 538' ' ' SER . 19.7 t80 -154.54 87.58 1.17 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.693 -1.139 . . . . 0.0 108.549 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 146.62 30.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.611 ' HE2' HD21 ' A' ' 631' ' ' LEU . 9.7 m-85 -110.05 142.62 41.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.021 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -126.16 126.27 43.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.022 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.69 111.76 17.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.653 HD13 ' HE1' ' B' ' 542' ' ' TYR . 11.8 tp -96.95 150.78 20.37 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.782 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.64 119.18 30.67 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.541 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 2.0 mm? -118.3 113.27 21.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.46 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' B' ' 532' ' ' PHE . 0.0 OUTLIER -71.55 157.4 38.07 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.14 -47.41 17.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ALA . . . . . 0.403 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . . . -69.87 -44.59 69.51 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.97 -31.75 64.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.378 0.609 . . . . 0.0 110.206 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.599 ' CE1' HD13 ' B' ' 535' ' ' LEU . 65.3 t80 -58.16 -50.9 71.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.536 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.814 HG22 ' HG ' ' A' ' 642' ' ' LEU . 4.5 p -66.9 -33.34 75.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -61.95 -46.2 90.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.81 -43.87 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.408 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 542' ' ' TYR . 47.6 t -59.51 -47.72 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.717 ' HG3' ' HD2' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -68.91 -36.37 77.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.251 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.6 t80 -58.98 -50.89 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.058 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.6 mt -71.71 -28.8 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.202 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.31 86.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 10.9 mmt85 -67.72 -37.31 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.703 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.413 ' HB3' ' HE1' ' A' ' 558' ' ' TYR . 3.2 mm-40 -66.25 -39.66 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.459 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.14 -34.52 49.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.872 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.22 -54.7 21.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.5 122.32 59.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 564' ' ' GLN . 9.7 Cg_endo -52.76 126.01 19.83 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.36 2.04 . . . . 0.0 112.811 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -152.13 14.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.598 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' TYR . . . . . 0.413 ' HE1' ' HB3' ' A' ' 552' ' ' GLU . 50.3 m-85 -130.54 123.44 29.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.642 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -20.67 16.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.297 0.57 . . . . 0.0 109.783 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.431 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 6.5 t90 -69.08 -39.49 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.067 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.22 122.14 14.8 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.915 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.73 87.27 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.783 2.322 . . . . 0.0 112.165 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -24.49 35.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.322 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 556' ' ' PRO . 5.9 pm0 -57.4 -40.59 78.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 569' ' ' ILE . 13.2 p -77.69 -30.26 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.694 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.04 -42.3 91.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.546 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -14.7 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -20.35 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.69 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 566' ' ' VAL . 9.6 mt -77.02 134.44 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.285 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.601 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -88.81 119.19 69.9 Favored Pre-proline 0 N--CA 1.434 -1.237 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 176.519 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.601 ' HD2' HD13 ' A' ' 570' ' ' LEU . 17.9 Cg_endo -60.08 -3.02 2.0 Allowed 'Trans proline' 0 CA--C 1.521 -0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.31 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 570' ' ' LEU . 71.2 p -81.12 -17.3 50.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.336 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -27.01 25.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.616 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.91 -134.26 7.94 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -129.95 0.77 4.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.605 0.241 . . . . 0.0 110.572 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -46.35 75.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.408 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.23 -36.75 77.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.689 0.28 . . . . 0.0 110.47 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.87 -43.71 94.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -67.49 -40.57 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 32.8 m -60.86 -37.87 83.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.07 68.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.77 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.1 pt -103.27 5.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.503 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 583' ' ' LYS . 0.4 OUTLIER 65.58 43.36 3.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.302 0.572 . . . . 0.0 111.172 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.6 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.25 51.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -65.38 -18.66 65.66 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -31.93 9.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.45 0.625 . . . . 0.0 111.169 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.453 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 4.6 m-20 -70.72 -24.41 62.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.398 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.524 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.39 -25.85 64.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.972 0.415 . . . . 0.0 111.007 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -61.84 -33.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.204 -179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -63.4 -37.14 86.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.051 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 618' ' ' ILE . 57.1 m-85 -68.14 -44.75 75.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -38.76 81.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.222 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.95 92.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.31 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -84.59 -6.58 59.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.771 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.27 21.41 41.58 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.52 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 575' ' ' LEU . 6.1 mt -99.71 98.55 7.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.892 0.377 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.59 19.87 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.13 11.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.278 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 11.1 ttt -80.22 137.73 36.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.322 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.75 -36.28 3.7 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.248 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -45.12 95.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -42.89 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.0 OUTLIER -68.85 -41.65 82.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.065 0.46 . . . . 0.0 109.994 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 -61.85 -45.26 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.808 ' HB3' HG12 ' A' ' 612' ' ' ILE . 3.8 mm-40 -62.18 -34.09 75.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.281 0.562 . . . . 0.0 110.173 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.904 ' HA ' HD11 ' A' ' 612' ' ' ILE . 85.4 t80 -69.28 -38.48 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.576 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 24.5 mt-10 -74.17 -36.44 64.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.259 0.552 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.67 -40.59 48.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.944 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -124.04 -54.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 85.27 -30.74 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.092 0.87 . . . . 0.0 110.15 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -94.0 28.19 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.904 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.7 OUTLIER -51.24 -52.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.899 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 591' ' ' PHE . 2.5 m-85 -57.83 -43.88 86.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.949 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -35.8 80.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.294 0.569 . . . . 0.0 110.312 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -43.47 70.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.712 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.6 pt -72.36 -22.84 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.07 30.9 3.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.881 -1.152 . . . . 0.0 113.716 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.0 mm -67.74 146.14 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 622' ' ' LYS . 3.3 t70 -65.28 123.63 20.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.146 0.498 . . . . 0.0 110.98 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.713 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.09 -24.13 66.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.261 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.331 . . . . 0.0 111.428 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' A' ' 622' ' ' LYS . 20.8 mtmm -129.47 11.52 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.231 0.539 . . . . 0.0 109.86 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.713 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.2 tp -54.67 -42.79 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -48.53 81.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.903 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.431 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 1.0 OUTLIER -63.14 -38.64 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.365 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.409 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 3.4 m-85 -65.15 -48.98 71.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.452 ' O ' HD23 ' A' ' 631' ' ' LEU . 9.0 m-85 -65.3 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.779 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.6 -50.23 70.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.03 80.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.472 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.753 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.238 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.612 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 1.4 mm? -64.85 -44.07 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.025 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -38.69 92.19 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.694 ' HD1' HG13 ' A' ' 566' ' ' VAL . 4.8 t80 -61.87 -45.86 91.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.94 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -61.41 -41.69 97.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.777 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 4.2 mmt85 -62.5 -45.37 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' A' ' 553' ' ' ALA . 70.8 mt -61.37 -46.56 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.093 0.473 . . . . 0.0 110.356 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.418 ' NE2' ' HE3' ' A' ' 641' ' ' LYS . 10.7 tm0? -57.54 -46.46 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.939 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.6 -35.88 75.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.15 -28.6 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.687 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -29.47 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 109.924 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -96.02 -6.6 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.72 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.814 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -66.0 121.64 77.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.993 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.8 Cg_exo -76.07 -26.22 9.47 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.862 2.374 . . . . 0.0 111.506 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.717 ' HD2' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.569 0.223 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 529' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' B' ' 530' ' ' TYR . 4.2 t-20 64.57 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.848 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.647 ' CE2' ' HB3' ' B' ' 627' ' ' TYR . 1.5 t80 -134.11 50.07 2.22 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.986 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 155.9 32.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.79 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 37.7 m-85 -100.47 139.73 35.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.541 0.686 . . . . 0.0 112.249 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.98 128.31 48.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.572 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 121.77 19.85 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.094 0.473 . . . . 0.0 111.453 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.7 tp -115.84 136.9 52.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.231 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.68 34.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.321 0.581 . . . . 0.0 110.108 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 545' ' ' VAL . 1.9 mm? -114.11 127.64 56.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.448 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.612 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -74.58 158.87 32.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.384 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -47.56 67.78 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.83 67.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 111.807 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.433 ' OE2' HD22 ' A' ' 549' ' ' LEU . 1.2 mm-40 -66.96 -33.55 75.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.181 0.515 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.653 ' HE1' HD13 ' A' ' 535' ' ' LEU . 86.9 t80 -57.22 -52.34 65.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.984 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.669 ' HA ' HD21 ' B' ' 642' ' ' LEU . 1.4 p -66.37 -34.78 78.73 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 544' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' B' ' 541' ' ' GLU . 7.5 ttpt -65.16 -44.6 88.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.268 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 537' ' ' LEU . 37.8 t -70.15 -44.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.5 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.0 t -59.44 -47.42 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.205 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.707 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -68.63 -35.81 77.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.207 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.515 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.91 -51.03 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.111 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' B' ' 635' ' ' ARG . 11.1 mt -67.36 -30.23 69.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 0.0 110.598 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.44 77.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.033 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 17.0 mmt85 -68.83 -44.35 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.233 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.84 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.36 -18.81 57.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.994 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.12 -71.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.475 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.4 t -76.16 125.9 87.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.76 124.66 14.02 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.327 2.018 . . . . 0.0 112.595 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 557' ' ' ARG . . . . . 0.627 ' HG3' ' HD1' ' B' ' 558' ' ' TYR . 0.0 OUTLIER -147.59 -3.2 0.55 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.588 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 558' ' ' TYR . . . . . 0.627 ' HD1' ' HG3' ' B' ' 557' ' ' ARG . 1.7 m-85 -122.23 146.47 47.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -18.06 11.79 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.616 ' CZ3' ' HA ' ' B' ' 625' ' ' LYS . 9.8 t90 -70.59 -46.25 63.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.847 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.553 HG13 ' CE3' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -124.39 134.81 25.82 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.975 178.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' B' ' 582' ' ' ILE . 6.3 Cg_exo -79.67 60.74 7.94 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.816 2.344 . . . . 0.0 111.427 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 563' ' ' THR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -70.83 -23.17 62.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.461 ' HG2' ' N ' ' B' ' 565' ' ' VAL . 18.7 pm0 -59.16 -35.66 73.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.56 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.3 p -87.01 -25.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -64.96 -38.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.667 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.64 -14.9 62.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.38 0.61 . . . . 0.0 110.141 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -91.56 -17.09 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.498 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' B' ' 566' ' ' VAL . 82.8 mt -74.35 136.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.883 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 570' ' ' LEU . 0.2 OUTLIER -89.97 114.07 59.46 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.507 ' HD2' HD13 ' B' ' 570' ' ' LEU . 24.3 Cg_endo -63.03 3.76 0.5 Allowed 'Trans proline' 0 C--O 1.226 -0.112 0 C-N-CA 122.589 2.193 . . . . 0.0 112.011 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.493 ' H ' ' C ' ' B' ' 570' ' ' LEU . 82.4 p -89.99 -17.5 27.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.306 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 573' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 2.5 mt-10 -79.71 -17.7 52.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.495 0.664 . . . . 0.0 109.928 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.18 -136.0 10.62 Favored Glycine 0 N--CA 1.437 -1.296 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.558 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -124.26 -5.28 7.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.93 0.365 . . . . 0.0 110.592 179.393 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 576' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -58.95 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.575 -178.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.678 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -61.87 -37.61 85.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.334 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.08 -43.13 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.713 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.1 OUTLIER -65.44 -41.64 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 22.8 m -59.99 -38.56 82.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.98 76.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.82 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.461 HG22 ' HD2' ' B' ' 562' ' ' PRO . 20.3 pt -96.91 6.21 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.631 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.83 41.51 4.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.855 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -94.8 49.75 1.26 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.72 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.6 -11.09 64.86 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.412 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.64 -32.02 8.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.212 0.53 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.18 -23.18 59.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.53 -26.06 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.701 179.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.527 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.91 -34.11 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.411 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.527 HD22 HG12 ' B' ' 589' ' ' VAL . 1.4 mm? -64.66 -36.53 84.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.975 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 62.6 m-85 -68.24 -45.26 73.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.629 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.07 -39.6 86.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.005 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.92 87.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.118 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.454 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.7 t-20 -81.78 -12.2 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.295 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.04 18.5 36.79 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.558 HG22 ' CD2' ' B' ' 575' ' ' LEU . 5.2 mt -98.91 100.61 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.687 0.28 . . . . 0.0 110.869 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.16 16.5 0.64 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.053 0.454 . . . . 0.0 110.773 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.49 172.45 7.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.293 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 5.0 ptt? -80.96 141.45 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.095 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.55 -30.44 2.23 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.42 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 601' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' B' ' 605' ' ' GLU . 4.5 t70 -58.72 -44.93 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -45.18 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.588 0.232 . . . . 0.0 110.91 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.436 HG21 HE22 ' B' ' 637' ' ' GLN . 0.7 OUTLIER -68.85 -40.6 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.527 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -65.8 -40.44 91.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -65.08 -33.97 77.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.698 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.76 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.3 t80 -66.36 -38.36 87.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.415 0.626 . . . . 0.0 109.832 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.7 -42.65 73.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -76.51 -38.47 55.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.617 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -110.78 -57.14 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 84.71 -28.06 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 124.092 0.87 . . . . 0.0 110.833 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -105.58 32.37 4.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.609 0.718 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -55.09 -59.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.124 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.531 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.4 m-85 -57.8 -39.12 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.146 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.55 -41.68 92.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.211 0.529 . . . . 0.0 110.374 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -70.55 -43.34 69.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.6 pt -67.99 -26.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.745 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.62 31.98 2.62 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.002 -1.094 . . . . 0.0 114.06 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.6 mm -66.81 145.5 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.557 ' OD2' ' HG3' ' B' ' 622' ' ' LYS . 1.2 t70 -64.82 121.3 14.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.089 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.605 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -63.6 -22.47 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.3 m -71.63 -18.91 62.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.102 0.477 . . . . 0.0 110.716 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.557 ' HG3' ' OD2' ' B' ' 619' ' ' ASP . 28.7 mtmm -124.0 0.97 8.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.8 tp -53.83 -44.12 70.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.613 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.588 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -60.67 -47.16 87.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.643 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.616 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.819 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.449 ' CD1' HD12 ' B' ' 582' ' ' ILE . 3.1 m-85 -59.95 -51.0 71.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.647 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 5.9 m-85 -65.46 -34.29 77.93 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.851 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.582 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 29.4 tp10 -61.31 -50.9 71.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.177 0.513 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 629' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' B' ' 633' ' ' PHE . . . -65.57 -37.92 88.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.698 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.65 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.0 OUTLIER -60.97 -49.05 79.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.437 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.79 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 2.8 mm? -66.02 -46.59 77.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 68.8 m -61.61 -36.85 81.89 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.335 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 629' ' ' ALA . 0.6 OUTLIER -62.42 -46.38 88.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.92 -39.42 89.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.751 ' HD2' HD13 ' B' ' 549' ' ' LEU . 3.5 mmt85 -61.03 -44.4 97.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.059 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' B' ' 567' ' ' SER . 52.0 mt -62.78 -46.6 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.923 0.392 . . . . 0.0 110.506 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.436 HE22 HG21 ' B' ' 603' ' ' ILE . 8.2 tt0 -57.79 -46.83 84.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.315 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -38.38 82.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.47 -24.03 64.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.192 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 22.6 mtt -63.44 -36.58 84.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.267 0.556 . . . . 0.0 109.627 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -95.71 -11.17 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' B' ' 543' ' ' THR . 2.4 tp -73.2 122.18 87.0 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.637 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 643' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 3.9 Cg_exo -76.1 -83.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.023 2.482 . . . . 0.0 110.881 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.082 0.468 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 -178.08 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.523 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.4 OUTLIER -145.4 160.12 42.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -178.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.99 152.37 31.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.425 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.64 ' HE2' HD21 ' A' ' 631' ' ' LEU . 39.3 m-85 -114.38 137.12 52.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 131.9 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.132 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 116.24 20.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.773 HD13 ' HE1' ' B' ' 542' ' ' TYR . 21.6 tp -102.02 142.19 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.856 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.76 122.16 34.06 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.062 0.458 . . . . 0.0 110.176 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -115.7 132.56 56.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -178.631 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 96.5 p -81.17 155.96 25.93 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.64 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -57.9 -28.04 63.87 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.026 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.23 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -82.67 -28.31 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.346 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.54 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 52.6 t80 -52.96 -50.81 63.32 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.771 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.662 ' HA ' HD21 ' A' ' 642' ' ' LEU . 2.3 p -67.73 -34.78 77.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.282 0.563 . . . . 0.0 110.959 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' LYS . . . . . 0.655 ' HD2' ' HZ ' ' B' ' 548' ' ' PHE . 0.1 OUTLIER -64.62 -44.73 89.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.529 HG22 ' HE2' ' B' ' 548' ' ' PHE . 48.8 t -71.4 -42.07 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.827 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.6 t -60.69 -49.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -68.59 -32.06 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.76 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.6 t80 -63.44 -49.58 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.217 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -71.38 -27.17 63.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.89 74.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.4 mmt-85 -65.4 -43.65 89.96 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 109.346 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.86 -37.21 81.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.262 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -76.73 -23.85 53.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -73.45 -28.39 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 110.478 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 556' ' ' PRO . 70.7 t -105.7 144.53 29.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.481 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 6.9 Cg_endo -53.67 125.99 20.4 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.361 1.374 . . . . 0.0 109.921 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 557' ' ' ARG . 2.2 ttt-85 -117.97 -6.58 10.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' A' ' 561' ' ' VAL . 88.7 m-85 -139.47 160.68 39.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.53 17.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.797 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.417 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 2.0 p-90 -87.39 -24.6 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 558' ' ' TYR . 7.1 p -121.93 122.5 27.69 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.45 0.643 . . . . 0.0 111.281 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.35 91.95 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.871 2.381 . . . . 0.0 112.082 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 556' ' ' PRO . 0.8 OUTLIER -69.61 -22.26 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.251 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.659 ' HB3' ' HD3' ' A' ' 556' ' ' PRO . 16.3 pm0 -59.22 -43.05 92.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.313 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.5 p -75.38 -29.6 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.102 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.772 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.95 -40.77 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.148 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.451 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.42 -13.78 61.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.404 0.621 . . . . 0.0 110.347 179.311 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.1 -13.76 37.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 566' ' ' VAL . 22.0 mt -80.46 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.496 0.665 . . . . 0.0 111.425 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -103.87 120.17 52.16 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.566 ' HD2' HD13 ' A' ' 570' ' ' LEU . 19.4 Cg_endo -60.58 -4.1 3.13 Favored 'Trans proline' 0 N--CA 1.47 0.145 0 C-N-CA 122.779 2.319 . . . . 0.0 111.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.487 ' HA ' ' HB3' ' A' ' 599' ' ' MET . 51.1 p -80.88 -14.77 57.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.881 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.7 OUTLIER -94.67 3.1 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.817 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 102.06 -144.43 16.29 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -125.41 -7.45 6.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.742 0.305 . . . . 0.0 110.388 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -35.5 65.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.269 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.34 -39.69 81.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.472 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.54 -41.69 98.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.969 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.5 m -61.07 -41.18 96.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.567 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.43 -40.01 74.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.934 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.3 pt -94.96 5.29 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.916 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.79 41.37 6.94 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.632 0.729 . . . . 0.0 110.396 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.532 ' CB ' HD12 ' A' ' 579' ' ' LEU . . . -90.5 45.43 1.26 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.8 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 586' ' ' HIS . . . -60.93 127.76 43.6 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.24 -0.981 . . . . 0.0 111.338 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 585' ' ' GLY . 55.7 t-80 86.96 -23.73 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.066 0.947 . . . . 0.0 112.032 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 0.9 OUTLIER -66.39 -24.35 66.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.458 0.647 . . . . 0.0 109.533 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.512 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -59.27 -25.01 63.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.211 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.462 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.23 -33.84 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.462 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.81 -38.81 92.5 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 74.2 m-85 -68.33 -43.39 77.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.314 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.66 -37.78 73.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.368 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.63 91.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.332 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.591 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.8 t-20 -83.59 -11.23 57.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.42 16.82 48.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.143 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.5 mt -96.95 92.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.776 0.322 . . . . 0.0 111.021 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.1 25.89 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.174 0.511 . . . . 0.0 110.151 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.15 172.49 12.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.092 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.487 ' HB3' ' HA ' ' A' ' 572' ' ' THR . 7.0 ptp -79.86 147.29 31.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.241 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.46 -44.69 3.24 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.39 -48.53 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.155 0.582 . . . . 0.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 2.4 ttt -58.39 -47.36 84.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.673 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.508 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.3 mp -68.42 -40.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -44.76 95.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.39 -34.11 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.111 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.628 ' HA ' HD11 ' A' ' 612' ' ' ILE . 75.5 t80 -66.67 -37.24 84.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 0.0 110.404 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 51.0 mt-10 -62.7 -43.44 98.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.665 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -78.17 -41.17 35.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.867 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -126.78 131.58 51.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.621 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -92.03 -1.75 57.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.041 0.448 . . . . 0.0 110.104 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 614' ' ' GLU . 17.6 p-10 -122.11 38.7 4.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.383 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.879 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -55.91 -51.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.145 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.56 -38.25 83.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.693 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 611' ' ' ASP . 5.4 mt-10 -67.8 -37.25 81.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.752 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -42.88 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.559 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.591 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.5 pt -72.42 -26.18 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.16 33.33 2.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.172 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -66.91 145.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 622' ' ' LYS . 11.0 t70 -65.45 129.34 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -59.48 -37.85 79.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.95 28.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 112.108 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.626 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 7.7 mtpt -125.68 -5.7 6.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 14.4 tp -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.729 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.23 95.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.14 -35.13 79.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.626 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -65.28 -44.7 87.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.717 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.115 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.01 -49.88 68.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.254 0.549 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.053 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.879 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.9 OUTLIER -63.62 -48.89 75.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.727 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.64 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.5 mm? -59.95 -44.35 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -60.53 -39.44 87.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.809 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.772 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.0 t80 -61.42 -43.99 97.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.623 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.85 -38.25 87.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 17.8 mmt180 -61.14 -45.62 93.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.149 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.9 mt -68.83 -45.55 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.706 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.66 82.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.111 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.99 -35.46 78.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.327 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.082 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.1 mtm -66.06 -34.98 79.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.44 0.638 . . . . 0.0 109.597 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -6.08 41.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.157 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 543' ' ' THR . 2.3 tp -78.76 123.45 85.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.677 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 50.12 2.57 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.95 2.433 . . . . 0.0 111.764 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.616 ' HG3' ' HB ' ' A' ' 543' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.592 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.088 0.471 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.59 146.15 54.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.671 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.64 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.4 p90 -131.06 153.15 49.6 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 111.018 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 1.3 m -74.02 129.32 37.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -88.3 149.27 23.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.332 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 533' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -136.97 143.4 42.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.966 0.413 . . . . 0.0 110.96 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 126.94 36.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.5 tp -107.25 148.28 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 119.79 31.1 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.2 mm? -121.63 120.81 35.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.209 -178.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.55 157.57 26.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -53.1 -40.88 64.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 118.992 0.814 . . . . 0.0 112.444 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.83 90.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.822 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.54 -31.75 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 0.0 110.939 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.773 ' HE1' HD13 ' A' ' 535' ' ' LEU . 78.4 t80 -56.98 -51.67 68.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.735 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 543' ' ' THR . . . . . 1.058 HG22 ' HG ' ' B' ' 642' ' ' LEU . 4.5 p -63.84 -35.53 80.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -65.46 -44.72 86.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.414 HG21 HD11 ' B' ' 537' ' ' LEU . 54.5 t -71.34 -46.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' B' ' 642' ' ' LEU . 78.7 t -59.82 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.0 -37.08 85.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.655 ' HZ ' ' HD2' ' A' ' 544' ' ' LYS . 1.0 OUTLIER -58.63 -48.79 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.5 mt -71.52 -32.58 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.78 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 1.7 mmm-85 -63.99 -43.96 94.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -34.79 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.844 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.689 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.651 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -72.96 -55.26 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.062 0.458 . . . . 0.0 109.825 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.458 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 2.5 t -100.31 110.12 58.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' B' ' 555' ' ' VAL . 2.9 Cg_endo -46.88 127.16 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.077 2.518 . . . . 0.0 113.355 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 25.29 0.51 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.37 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -108.95 162.06 14.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.415 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' THR . . . . . 0.519 ' HB ' ' CD1' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -64.85 -33.19 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.519 ' CD1' ' HB ' ' B' ' 559' ' ' THR . 1.5 p-90 -155.72 -167.77 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.199 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.506 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.9 OUTLIER 76.62 130.35 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.944 0.778 . . . . 0.0 110.874 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 4.3 Cg_exo -77.05 68.93 7.23 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.156 2.571 . . . . 0.0 111.541 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -35.08 80.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.657 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 565' ' ' VAL . 1.6 pm0 -58.51 -50.11 74.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.497 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 8.3 p -73.14 -29.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.781 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.39 -40.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.438 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.526 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.576 . . . . 0.0 110.218 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -83.15 -15.29 51.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.96 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' B' ' 566' ' ' VAL . 56.1 mt -74.47 133.25 31.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.316 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -88.71 117.84 68.73 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.612 ' HD2' HD13 ' B' ' 570' ' ' LEU . 27.0 Cg_endo -62.0 7.36 0.13 Allowed 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 123.012 2.475 . . . . 0.0 113.144 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.9 p -89.15 -17.28 29.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.27 -25.01 39.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.432 0.634 . . . . 0.0 110.496 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 123.69 -125.05 5.75 Favored Glycine 0 N--CA 1.437 -1.297 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -131.69 -10.65 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.995 0.397 . . . . 0.0 111.495 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 576' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 0.2 OUTLIER -55.53 -39.48 70.58 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.496 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -63.46 -37.67 88.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.553 179.379 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.05 -41.81 94.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.31 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -42.29 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.49 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -60.96 -40.16 92.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.12 83.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.148 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -86.23 8.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.05 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.24 34.27 10.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.451 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -78.63 -68.26 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.193 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.2 -62.41 2.59 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -89.47 -16.58 30.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.9 OUTLIER -62.12 -24.86 67.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.555 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -58.23 -25.37 61.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.123 0.487 . . . . 0.0 110.375 179.178 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.44 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -61.41 -33.97 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.295 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' B' ' 616' ' ' ILE . 0.7 OUTLIER -67.92 -37.99 82.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 80.1 m-85 -66.71 -39.12 87.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.597 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.625 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.64 97.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.372 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.846 ' HB2' HG22 ' B' ' 616' ' ' ILE . 9.6 t-20 -83.11 -11.18 58.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.812 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.32 31.42 9.67 Favored Glycine 0 CA--C 1.508 -0.372 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.009 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 2.7 mt -109.64 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 120.756 0.312 . . . . 0.0 111.341 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -154.92 13.02 0.39 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.19 173.15 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.94 145.51 31.22 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.259 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.5 -38.18 2.46 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.315 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 601' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' B' ' 604' ' ' ARG . 4.8 t70 -62.31 -44.19 97.07 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.683 0.393 . . . . 0.0 111.639 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.41 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -62.16 -41.69 98.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.41 HD12 ' SD ' ' B' ' 602' ' ' MET . 1.1 mp -68.46 -40.0 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -62.1 -41.15 97.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.97 -35.67 78.76 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.572 ' HA ' HD11 ' B' ' 612' ' ' ILE . 27.7 t80 -68.75 -37.67 79.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 0.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.2 -45.29 88.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.246 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.73 -38.2 33.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.712 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -119.9 128.42 53.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.734 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.96 3.59 44.43 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.07 22.18 11.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.23 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.798 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -49.44 -58.96 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.61 -41.56 81.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.765 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.13 81.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.274 0.559 . . . . 0.0 110.572 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -66.55 -42.13 87.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' B' ' 594' ' ' ASN . 45.7 pt -71.9 -24.02 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.39 21.96 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.094 -1.05 . . . . 0.0 114.306 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.428 ' CG1' HD11 ' B' ' 616' ' ' ILE . 14.7 mm -66.14 144.47 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.85 124.98 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.792 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.8 OUTLIER -57.97 -29.17 65.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.345 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.28 60.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.913 0.387 . . . . 0.0 111.314 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -117.07 -7.27 11.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.5 tp -54.05 -44.41 71.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.636 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -47.89 83.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.233 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.422 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 1.7 tttt -67.88 -38.42 83.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.405 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 3.1 m-85 -65.24 -48.3 73.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.66 -32.7 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.28 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.38 -51.23 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.588 . . . . 0.0 109.415 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.01 81.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.708 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.798 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.5 t80 -60.25 -49.93 75.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.169 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.4 mm? -62.87 -45.09 94.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.866 0.365 . . . . 0.0 110.519 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 17.5 m -63.89 -37.61 88.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.785 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.781 ' HD1' HG13 ' B' ' 566' ' ' VAL . 35.0 t80 -60.92 -42.6 98.43 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 634' ' ' TYR . . . . . 0.402 ' HE1' HG23 ' B' ' 603' ' ' ILE . 91.2 t80 -60.4 -41.44 93.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 23.8 mmt180 -61.79 -45.58 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.689 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.0 mt -62.12 -47.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.666 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.496 ' HB3' HE21 ' B' ' 637' ' ' GLN . 0.0 OUTLIER -57.66 -45.43 85.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.327 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.598 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -71.06 -35.54 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.975 -179.533 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.742 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.23 -25.35 65.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.568 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.9 mmt -66.24 -41.15 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.378 0.608 . . . . 0.0 110.067 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -6.28 39.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.76 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 1.058 ' HG ' HG22 ' B' ' 543' ' ' THR . 7.0 tp -54.53 116.46 10.91 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.154 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -81.42 72.09 6.57 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.814 2.342 . . . . 0.0 111.664 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 121.5 0.667 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.56 137.04 41.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.091 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.626 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 2.0 p90 -115.08 147.93 39.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.165 0.507 . . . . 0.0 111.152 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.72 138.38 44.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.601 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.47 ' HE2' HD21 ' A' ' 631' ' ' LEU . 26.1 m-85 -101.06 132.52 46.45 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.316 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -115.19 126.26 54.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' THR . . . . . 0.706 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -84.72 98.06 10.02 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.181 0.515 . . . . 0.0 110.369 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.44 145.94 27.89 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.185 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.16 120.11 31.83 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.1 mm? -119.4 126.76 52.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 156.1 39.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -33.03 64.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.555 0.616 . . . . 0.0 112.498 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.43 66.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.89 -30.7 35.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.133 0.492 . . . . 0.0 111.671 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.637 ' CE1' HD13 ' B' ' 535' ' ' LEU . 72.4 t80 -55.04 -45.78 75.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.249 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.2 p -67.33 -33.1 74.55 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.899 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -44.68 83.91 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.045 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.79 -43.2 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 111.473 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.0 t -60.08 -50.13 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.74 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -64.33 -39.06 93.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.406 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.553 ' HE2' HG22 ' B' ' 545' ' ' VAL . 4.7 t80 -58.49 -51.32 70.34 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.62 0.575 . . . . 0.0 111.295 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.576 ' HB3' ' NE ' ' A' ' 635' ' ' ARG . 19.8 mt -71.69 -26.22 62.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.786 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.89 75.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.7 mmt85 -63.24 -48.69 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.414 0.626 . . . . 0.0 110.181 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.12 -34.35 76.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.453 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.515 ' HB2' HH21 ' A' ' 635' ' ' ARG . . . -78.28 -17.79 56.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -82.82 -33.46 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.08 155.69 46.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.27 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.04 127.84 25.67 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.34 1.36 . . . . 0.0 108.649 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.51 -27.33 0.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -85.3 160.08 19.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.819 0.342 . . . . 0.0 110.531 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -68.63 -42.55 77.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.749 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.536 ' O ' ' HB ' ' A' ' 561' ' ' VAL . 15.1 p-90 -135.8 178.12 7.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.935 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.0 OUTLIER 80.72 121.05 0.03 OUTLIER Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 109.966 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 15.6 Cg_exo -68.63 84.24 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.24 2.627 . . . . 0.0 111.822 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -45.85 20.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.074 -178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.92 -49.99 73.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 569' ' ' ILE . 8.6 p -65.83 -31.8 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.681 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.83 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.91 -42.24 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.178 -179.539 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.641 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -73.53 -14.86 61.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.281 0.562 . . . . 0.0 110.283 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -16.56 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.4 mt -74.58 133.27 31.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.966 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.815 HD12 ' HD2' ' A' ' 571' ' ' PRO . 4.7 tp -89.03 115.52 63.84 Favored Pre-proline 0 N--CA 1.437 -1.097 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.815 ' HD2' HD12 ' A' ' 570' ' ' LEU . 18.6 Cg_endo -59.06 -1.68 0.93 Allowed 'Trans proline' 0 CA--C 1.522 -0.111 0 C-N-CA 123.018 2.478 . . . . 0.0 112.832 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 570' ' ' LEU . 63.4 p -79.5 -17.04 54.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.59 -15.59 54.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.773 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 110.21 -122.08 6.19 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.618 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -129.58 -4.0 4.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.4 -42.85 74.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.756 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.57 -37.84 80.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.935 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -63.2 -47.42 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.207 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.18 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.234 0.54 . . . . 0.0 109.723 179.101 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.7 m -60.59 -39.1 86.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.322 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.67 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.804 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.413 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 3.0 pt -94.48 9.09 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp 62.1 41.85 10.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.84 -15.64 58.22 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.115 -0.564 . . . . 0.0 114.254 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -110.01 -4.99 15.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.666 0.733 . . . . 0.0 111.672 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.572 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-20 -74.76 -23.67 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.12 -25.65 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.17 -33.51 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.659 178.697 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' A' ' 589' ' ' VAL . 0.6 OUTLIER -71.99 -40.23 68.71 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.068 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 84.5 m-85 -67.46 -41.95 83.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.958 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -58.45 -36.09 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.45 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.15 93.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.154 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.773 ' HB2' HG22 ' A' ' 616' ' ' ILE . 9.6 t-20 -85.51 -9.91 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.811 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.56 25.65 27.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.292 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.618 HG22 ' CD2' ' A' ' 575' ' ' LEU . 4.4 mt -100.94 103.13 14.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.792 0.329 . . . . 0.0 111.291 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.64 17.61 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.72 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.39 171.75 10.19 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -80.67 133.97 35.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.427 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 85.25 -29.19 4.4 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.561 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -45.75 91.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.52 92.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -42.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -62.63 -40.47 97.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 6.3 mm-40 -67.57 -33.81 75.78 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.9 t80 -66.92 -40.16 87.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.996 0.427 . . . . 0.0 109.976 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.93 -49.8 48.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -17.15 56.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m-70 -123.61 -62.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 80.84 -30.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.01 0.819 . . . . 0.0 110.139 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -101.1 25.75 7.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.695 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -52.15 -59.75 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.698 -179.092 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 616' ' ' ILE . 3.0 m-85 -57.19 -38.42 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.235 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 623' ' ' LEU . 0.7 OUTLIER -66.95 -43.21 83.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.285 0.564 . . . . 0.0 110.574 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -70.05 -42.93 72.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.957 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.773 HG22 ' HB2' ' A' ' 594' ' ' ASN . 48.3 pt -66.43 -26.64 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.656 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.81 25.78 4.11 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.866 -1.159 . . . . 0.0 114.589 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.8 142.75 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.763 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 26.4 t70 -65.16 133.53 51.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.602 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.85 -29.07 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.294 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 -6.87 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.0 0.429 . . . . 0.0 111.123 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.763 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 12.7 mtpt -121.52 -6.83 9.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.96 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -53.97 -45.59 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -44.87 96.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.437 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -68.86 -36.9 78.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.496 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -69.47 -47.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 0.0 111.281 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 561' ' ' VAL . 1.3 tp10 -64.6 -49.58 70.56 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.025 0.441 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.89 80.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.831 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.18 -48.09 83.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.62 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.3 OUTLIER -59.02 -44.59 91.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.071 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.512 ' HB3' ' HB1' ' A' ' 553' ' ' ALA . 20.2 m -58.56 -41.75 86.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 566' ' ' VAL . 3.6 t80 -61.93 -46.34 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.406 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.96 -39.36 94.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.9 mtp180 -59.72 -45.5 91.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.748 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.5 mt -70.17 -44.23 78.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.69 -39.79 77.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.169 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 2.8 tp10 -71.64 -38.11 70.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.33 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.08 -38.39 85.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.486 0.66 . . . . 0.0 110.164 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -5.24 44.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.956 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -62.63 133.21 94.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.23 -1.49 11.59 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.6 2.2 . . . . 0.0 111.387 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.386 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.551 0.691 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -140.68 158.9 43.3 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.15 149.9 34.85 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.754 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.69 137.82 33.59 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.206 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -88.02 130.12 35.07 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -116.26 131.01 57.06 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.31 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 122.16 26.24 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.637 HD13 ' CE1' ' A' ' 542' ' ' TYR . 12.5 tp -112.49 134.49 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.62 120.88 32.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.247 0.546 . . . . 0.0 110.935 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.409 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -120.41 134.18 55.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.0 OUTLIER -76.27 154.82 34.86 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.279 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -56.97 -40.41 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.057 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.42 84.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.494 ' O ' HG23 ' B' ' 545' ' ' VAL . 13.4 mm-40 -81.43 -31.19 33.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 546' ' ' VAL . 84.9 t80 -56.43 -51.57 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.052 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.766 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.4 p -61.87 -33.89 75.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.013 0.435 . . . . 0.0 111.479 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -44.97 75.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.553 HG22 ' HE2' ' A' ' 548' ' ' PHE . 29.9 t -71.92 -42.79 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.568 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.4 t -59.66 -50.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.783 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.62 -37.34 87.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.565 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.508 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.1 t80 -59.35 -48.31 82.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.14 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.942 ' HB3' ' HD3' ' B' ' 635' ' ' ARG . 21.1 mt -71.39 -30.22 65.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.207 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.41 80.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.9 mmt180 -68.49 -40.19 81.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.662 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.2 -35.74 81.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.01 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.67 -26.05 44.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.618 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 636' ' ' ILE . 43.6 mttt -79.22 -38.79 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.461 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.93 156.71 34.83 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -70.7 125.14 11.35 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 N-CA-C 108.845 -1.252 . . . . 0.0 108.845 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 25.14 0.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.699 0.761 . . . . 0.0 110.382 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 558' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' B' ' 560' ' ' TRP . 47.7 m-85 -137.53 139.81 40.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.673 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -4.26 47.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.586 0.708 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.47 ' O ' ' HB ' ' B' ' 561' ' ' VAL . 26.3 p-90 -149.98 160.87 43.28 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 560' ' ' TRP . 1.0 OUTLIER 74.88 117.02 0.03 OUTLIER Pre-proline 0 C--O 1.238 0.472 0 CA-C-O 121.307 0.575 . . . . 0.0 110.253 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.524 ' HB2' HG12 ' B' ' 565' ' ' VAL . 12.9 Cg_exo -71.15 81.3 1.18 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.179 2.586 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.42 80.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.919 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.51 85.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 569' ' ' ILE . 8.6 p -71.64 -32.91 47.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.01 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.55 -41.57 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.467 -179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' B' ' 636' ' ' ILE . 0.3 OUTLIER -72.14 -21.9 61.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.443 0.639 . . . . 0.0 109.896 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -79.45 -15.16 58.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.036 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' B' ' 566' ' ' VAL . 69.5 mt -74.5 140.43 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.298 0.571 . . . . 0.0 111.289 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -98.5 117.54 64.53 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 176.384 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.632 ' O ' ' HB2' ' B' ' 599' ' ' MET . 27.8 Cg_endo -61.83 -2.9 3.14 Favored 'Trans proline' 0 C--N 1.336 -0.106 0 C-N-CA 122.468 2.112 . . . . 0.0 111.998 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.411 ' H ' ' C ' ' B' ' 570' ' ' LEU . 70.2 p -80.32 -14.42 58.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.045 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 573' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.4 OUTLIER -92.34 -1.89 56.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.081 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 107.08 -144.1 15.87 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -121.01 -8.4 9.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.12 71.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.719 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.38 -38.33 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -66.83 -42.63 85.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.649 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.78 -42.68 90.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.784 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 25.1 m -61.07 -38.87 87.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.316 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -55.82 -39.04 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 17.6 pt -99.21 6.77 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.47 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.29 43.06 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.92 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.557 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -95.05 47.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.995 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.41 63.29 2.61 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.561 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.36 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 0.0 109.208 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.432 ' HA ' ' CD2' ' B' ' 590' ' ' LEU . 2.3 m-20 -68.1 -23.65 64.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.43 -25.42 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.593 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.459 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -64.69 -34.02 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.328 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.459 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -63.01 -36.93 85.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.485 0.66 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' B' ' 618' ' ' ILE . 78.7 m-85 -67.61 -44.04 79.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.373 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.12 -36.92 76.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.014 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.11 97.95 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.796 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.541 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.4 t30 -81.48 -13.15 58.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.01 15.14 55.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.94 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.6 mt -88.93 101.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.282 . . . . 0.0 110.881 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.71 19.02 0.27 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.177 0.513 . . . . 0.0 109.966 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.8 171.31 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.584 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.632 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.83 133.05 35.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.307 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 600' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' B' ' 604' ' ' ARG . . . 87.2 -29.63 5.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.26 -43.95 98.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.569 0.223 . . . . 0.0 111.502 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -42.57 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.517 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.2 mp -69.12 -40.8 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.135 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.554 ' HG3' ' HE3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -61.08 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.389 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.547 ' HA ' ' OE1' ' B' ' 605' ' ' GLU . 1.1 mm-40 -68.04 -32.8 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.82 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.893 ' HA ' HD11 ' B' ' 612' ' ' ILE . 88.3 t80 -67.3 -38.91 85.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.078 0.466 . . . . 0.0 110.317 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.81 -42.36 61.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.554 ' HE3' ' HG3' ' B' ' 604' ' ' ARG . 3.4 mtmp? -77.3 -31.96 55.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 3.8 m-70 -117.28 -62.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -176.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 84.13 -23.04 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.378 1.049 . . . . 0.0 110.196 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.42 25.86 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.609 . . . . 0.0 109.813 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -52.79 -57.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.01 -42.32 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.866 0.365 . . . . 0.0 111.271 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.568 ' HG3' HD21 ' B' ' 623' ' ' LEU . 3.9 mt-10 -65.73 -37.46 86.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.317 0.58 . . . . 0.0 110.156 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -69.14 -43.11 75.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.807 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' B' ' 594' ' ' ASN . 47.9 pt -72.38 -21.66 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.91 27.92 4.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.856 -1.164 . . . . 0.0 113.732 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.3 mm -67.03 145.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.479 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 16.5 t0 -64.87 121.48 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.317 . . . . 0.0 111.046 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 3.1 m -60.44 -30.29 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.033 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -14.62 63.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 27.9 mtpt -119.94 -1.93 10.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.705 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' B' ' 614' ' ' GLU . 0.5 OUTLIER -54.0 -44.42 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.775 -178.475 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.3 86.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.061 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.428 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -66.82 -38.84 87.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.7 m-85 -65.7 -50.83 63.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.38 -32.13 73.61 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.433 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' B' ' 561' ' ' VAL . 13.8 tp10 -62.33 -48.77 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.5 85.16 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.606 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.593 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -60.97 -47.65 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.102 178.513 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 635' ' ' ARG . 0.6 OUTLIER -61.5 -40.83 96.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 39.0 m -57.65 -46.16 84.55 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.746 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.61 ' HD1' HG13 ' B' ' 566' ' ' VAL . 0.9 OUTLIER -61.61 -42.16 98.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.562 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -66.94 -37.99 85.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.942 ' HD3' ' HB3' ' B' ' 549' ' ' LEU . 39.8 mtt180 -58.26 -45.7 87.33 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.399 0.619 . . . . 0.0 109.799 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.445 HG23 ' HE3' ' B' ' 554' ' ' LYS . 10.0 mt -71.1 -47.03 63.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -44.0 93.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.726 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.4 tp10 -64.19 -35.11 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.717 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -66.8 -22.42 66.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.51 -33.37 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -89.59 -10.68 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.42 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.766 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.0 tp -73.43 126.21 90.14 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.649 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -87.87 -140.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.891 2.394 . . . . 0.0 110.777 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.484 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -89.24 -43.25 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 110.483 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.64 ' HE1' ' HB3' ' B' ' 538' ' ' SER . 1.6 t80 -143.62 135.7 26.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.114 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.77 155.68 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.598 ' HE2' HD21 ' A' ' 631' ' ' LEU . 56.9 m-85 -121.14 152.16 39.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.27 130.46 26.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.849 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 133.98 39.66 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.94 0.4 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.47 147.1 48.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' THR . . . . . 0.623 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -91.21 122.02 33.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -104.98 133.36 49.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.778 -178.261 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -71.7 158.29 36.4 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.181 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -50.87 70.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.0 78.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.114 0.483 . . . . 0.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.66 -30.35 64.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.688 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.643 ' HA ' HD12 ' A' ' 537' ' ' LEU . 53.6 t80 -56.22 -50.92 69.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.102 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' THR . . . . . 1.03 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.4 p -68.65 -34.22 75.34 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.34 -44.52 87.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.897 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.461 HG22 HD11 ' B' ' 549' ' ' LEU . 53.9 t -71.96 -44.65 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.805 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.0 t -59.77 -49.61 83.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.031 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -65.82 -32.75 74.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.95 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.568 ' HE2' HG22 ' B' ' 545' ' ' VAL . 0.8 OUTLIER -60.79 -47.3 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.039 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.6 mt -71.3 -27.99 63.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.055 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.6 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 7.8 mmt-85 -68.34 -36.47 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.56 -40.38 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.139 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.31 -20.05 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.169 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -83.87 -49.28 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 32.6 t -92.79 115.57 65.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.87 128.39 17.76 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.557 2.171 . . . . 0.0 112.72 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 40.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -117.76 161.64 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.428 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -113.22 -1.77 14.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.418 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 1.8 p -104.04 113.0 65.69 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.444 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.484 ' O ' HG12 ' A' ' 565' ' ' VAL . 4.5 Cg_endo -86.32 75.9 2.75 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.336 2.691 . . . . 0.0 110.805 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -60.16 -22.54 63.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.491 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.81 -38.22 69.69 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.5 p -80.3 -28.2 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.473 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -68.76 -37.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.571 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.94 -14.83 61.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 109.829 178.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.57 -18.71 30.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.333 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.727 HG12 ' HD2' ' A' ' 577' ' ' ARG . 42.2 mt -76.52 141.99 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.367 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.687 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.8 OUTLIER -97.79 124.08 49.36 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.25 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.687 ' HD2' HD13 ' A' ' 570' ' ' LEU . 34.9 Cg_endo -67.9 19.19 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.578 2.185 . . . . 0.0 111.862 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 66.7 p -109.21 -14.31 14.51 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.806 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.68 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 1.1 mt-10 -86.84 -43.94 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 142.46 -166.33 26.49 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -94.36 -8.37 39.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 110.099 179.445 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -44.53 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.205 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.727 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.1 -37.37 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.668 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -62.04 -44.7 96.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.948 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -65.22 -39.97 93.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 50.4 m -61.32 -38.72 87.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.546 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -58.17 -33.56 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.269 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.1 6.99 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 43.82 4.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.203 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.794 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -115.17 45.75 1.58 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.936 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -60.63 -27.98 67.11 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.757 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -84.78 -27.13 27.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.041 0.448 . . . . 0.0 111.407 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 26.5 m-20 -74.32 -22.96 59.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.169 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.99 -25.2 60.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.441 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.83 -33.71 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.385 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -64.52 -35.57 81.39 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.532 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.633 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 57.1 m-85 -67.73 -41.65 83.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.708 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.57 -35.83 70.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.718 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.31 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.739 ' HB2' HG22 ' A' ' 616' ' ' ILE . 9.3 t30 -79.21 -13.3 59.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.7 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.92 11.57 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.671 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 2.0 mt -108.24 101.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.585 -0.308 . . . . 0.0 110.8 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.89 8.74 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.879 0.371 . . . . 0.0 110.803 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 172.62 6.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.437 0.637 . . . . 0.0 112.536 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.617 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.29 137.75 35.77 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.644 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.04 -19.55 7.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' ' 604' ' ' ARG . 2.2 t0 -60.43 -45.26 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.15 0.58 . . . . 0.0 110.676 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.67 -40.19 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.388 -179.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.403 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -68.52 -42.44 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 109.858 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -63.06 -41.59 99.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.652 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.61 -34.93 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.644 ' HA ' HD11 ' A' ' 612' ' ' ILE . 57.6 t80 -66.93 -38.62 86.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.469 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.93 -39.46 69.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -72.63 -36.43 68.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.774 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -120.04 -134.46 0.32 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.0 -29.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.09 28.99 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.754 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.644 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -55.22 -63.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.692 -178.063 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -57.67 -38.56 75.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 0.0 111.352 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -45.3 80.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.867 0.365 . . . . 0.0 111.277 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -68.15 -40.34 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.623 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.739 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.9 pt -67.26 -25.46 33.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.613 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.89 24.82 4.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.145 -1.026 . . . . 0.0 114.29 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.2 mm -66.34 145.85 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.3 t0 -65.12 124.41 22.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.675 0.274 . . . . 0.0 110.664 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.73 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.684 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -15.97 62.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.205 0.526 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.545 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 17.2 mtpt -120.92 -4.27 9.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.441 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.73 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.3 tp -53.83 -44.19 70.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.767 -177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -43.5 94.92 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.224 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.582 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.82 -37.3 81.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.461 . . . . 0.0 110.884 -179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.582 ' HE1' ' HE2' ' A' ' 625' ' ' LYS . 2.1 m-30 -67.85 -48.03 67.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.223 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.12 -35.27 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.403 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -46.67 89.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 110.158 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.9 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -59.09 -49.99 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.947 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.598 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.0 mm? -66.02 -42.99 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 20.4 m -58.33 -46.24 86.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.663 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -40.54 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -59.48 -37.5 78.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.026 0.441 . . . . 0.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -40.88 74.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.571 HD13 ' HB3' ' A' ' 567' ' ' SER . 89.8 mt -59.58 -45.84 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.094 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.64 -40.65 79.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.866 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -73.46 -39.47 64.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.191 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.766 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.99 -25.36 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.682 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.1 mtt -67.05 -37.79 84.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -6.52 35.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.48 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 1.03 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -63.27 127.76 91.5 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.014 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -89.35 56.24 1.9 Allowed 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.293 2.662 . . . . 0.0 111.631 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.65 ' HG3' ' HB ' ' A' ' 543' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.564 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.457 0.17 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.78 -60.35 0.48 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.564 0.745 . . . . 0.0 112.96 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.01 130.34 54.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.388 0.613 . . . . 0.0 112.386 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 2.8 m -150.6 152.27 33.81 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.949 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.416 ' HE2' HD21 ' B' ' 631' ' ' LEU . 27.5 m-85 -104.91 147.16 28.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.6 0.714 . . . . 0.0 112.641 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 533' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -137.91 132.11 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.372 178.542 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 534' ' ' THR . . . . . 0.623 HG23 HG23 ' A' ' 536' ' ' THR . 0.0 OUTLIER -73.68 115.23 12.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.604 0.716 . . . . 0.0 111.911 -178.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 13.4 tp -98.01 149.26 22.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.21 118.89 31.77 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 111.053 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 141.59 51.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.64 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -89.68 158.34 17.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -45.25 94.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 119.173 0.897 . . . . 0.0 111.55 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.66 87.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.35 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.445 ' O ' HG23 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -77.29 -32.19 55.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.323 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.63 -50.33 72.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.851 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.566 HG22 ' HG ' ' B' ' 642' ' ' LEU . 26.1 p -61.8 -35.14 77.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.34 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -65.52 -44.58 86.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.568 HG22 ' HE2' ' A' ' 548' ' ' PHE . 39.7 t -70.31 -43.28 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' B' ' 642' ' ' LEU . 42.3 t -59.52 -49.73 82.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.41 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.204 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.618 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.1 t80 -59.17 -49.89 76.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.206 0.527 . . . . 0.0 110.418 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.618 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 5.6 mt -72.01 -28.18 63.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.26 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.2 mmt180 -66.34 -48.37 70.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.059 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.4 -39.87 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.423 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.94 -19.45 57.35 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -88.95 -21.55 23.5 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.249 -0.282 . . . . 0.0 111.718 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' B' ' 556' ' ' PRO . 3.5 m -111.21 159.84 31.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.322 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' B' ' 555' ' ' VAL . 27.9 Cg_endo -65.66 128.18 19.51 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.589 1.526 . . . . 0.0 108.613 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 557' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -163.51 -38.97 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.058 0.456 . . . . 0.0 111.079 -177.469 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -100.9 124.01 45.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.907 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.33 -44.74 10.01 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -69.24 -24.47 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.12 121.78 25.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.463 ' HB2' HG12 ' B' ' 565' ' ' VAL . 90.6 Cg_endo -79.3 72.81 6.32 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.84 2.36 . . . . 0.0 113.147 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -27.6 54.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.5 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -59.42 -44.96 92.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 -179.521 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 569' ' ' ILE . 12.7 p -74.69 -26.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.122 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.805 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.0 OUTLIER -65.51 -41.27 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.934 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.666 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.53 -21.12 61.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.384 0.611 . . . . 0.0 109.846 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.92 -18.28 50.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.929 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 566' ' ' VAL . 60.2 mt -74.63 135.38 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.7 OUTLIER -86.43 117.1 68.13 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.67 ' O ' ' HB2' ' B' ' 599' ' ' MET . 41.5 Cg_endo -68.6 22.46 0.14 Allowed 'Trans proline' 0 C--N 1.336 -0.119 0 C-N-CA 122.821 2.347 . . . . 0.0 111.946 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' B' ' 570' ' ' LEU . 80.7 p -111.07 -7.87 14.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.84 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 573' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' B' ' 577' ' ' ARG . 0.0 OUTLIER -96.92 -34.08 11.37 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 143.01 -147.36 18.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.609 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -118.79 -1.57 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.754 0.311 . . . . 0.0 110.303 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 576' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 6.3 pt-20 -60.29 -39.67 87.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.274 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -67.03 -37.79 84.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.969 0.414 . . . . 0.0 110.083 178.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.88 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.818 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -42.84 91.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.831 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.3 m -60.2 -40.62 90.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.524 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.53 86.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.039 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' B' ' 626' ' ' TYR . 10.9 pt -91.81 8.0 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.867 -178.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 62.51 39.48 11.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -87.17 45.67 1.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.01 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.14 54.17 2.25 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.288 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -178.15 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.404 0.621 . . . . 0.0 109.38 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 6.2 m-20 -66.85 -24.46 66.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.364 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.66 -26.4 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.864 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -61.7 -34.12 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.19 -36.94 84.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.933 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.508 ' CE1' HD11 ' B' ' 618' ' ' ILE . 86.6 m-85 -68.07 -44.69 75.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.539 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.86 88.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.805 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.425 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.8 t-20 -83.65 -10.05 58.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.339 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.98 15.92 55.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.968 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 7.4 mt -96.68 84.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.614 -0.293 . . . . 0.0 110.85 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -131.83 11.19 4.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.992 0.425 . . . . 0.0 110.274 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.63 168.81 9.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.368 0.604 . . . . 0.0 112.074 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.67 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.06 137.33 34.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.972 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.34 -23.63 5.34 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.535 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -39.75 84.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.68 -43.08 94.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.476 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.436 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.9 mt -67.88 -41.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.421 ' HG2' ' HD2' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -60.42 -46.84 88.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.701 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.85 -33.35 75.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.156 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.934 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.5 t80 -63.36 -41.3 98.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.54 -43.36 90.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.633 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.552 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 88.7 m-70 -119.06 -71.94 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 0.0 OUTLIER 103.31 -36.91 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.455 1.502 . . . . 0.0 110.587 -179.086 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.5 43.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.702 0.763 . . . . 0.0 109.093 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -59.87 -51.96 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.906 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.478 ' HB2' ' CZ ' ' B' ' 627' ' ' TYR . 2.5 m-85 -57.93 -42.18 84.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -39.94 93.35 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.421 0.629 . . . . 0.0 110.214 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.55 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.956 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.07 -24.37 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 617' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.41 33.5 2.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.079 -1.058 . . . . 0.0 113.775 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.6 mm -66.75 145.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 117.206 0.503 . . . . 0.0 110.143 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.14 122.66 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.473 . . . . 0.0 110.526 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.647 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.2 m -65.26 -21.27 66.71 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -17.08 63.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.192 0.52 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.717 ' HB3' ' HD3' ' B' ' 625' ' ' LYS . 0.1 OUTLIER -129.23 2.18 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.086 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -53.16 -44.16 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.045 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.09 83.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.319 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.717 ' HD3' ' HB3' ' B' ' 622' ' ' LYS . 0.0 OUTLIER -64.04 -34.26 77.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.562 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.6 m-85 -64.6 -51.16 64.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 21.6 m-85 -65.03 -33.27 75.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.239 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.73 -49.36 75.34 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.05 86.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.009 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.663 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.8 OUTLIER -59.6 -49.88 76.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.379 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.3 OUTLIER -61.28 -44.15 97.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.501 . . . . 0.0 110.213 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.513 ' HA ' ' HE ' ' B' ' 635' ' ' ARG . 50.4 m -61.59 -42.98 99.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.51 96.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.53 -39.04 93.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH1' HD13 ' B' ' 549' ' ' LEU . 0.2 OUTLIER -65.46 -46.02 81.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.469 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.666 HD13 ' HB3' ' B' ' 567' ' ' SER . 24.8 mt -60.32 -41.87 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.439 0.638 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -46.21 89.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.467 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -37.01 85.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.351 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.46 -26.58 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.243 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -37.16 84.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.419 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -5.4 50.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.392 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.2 tp -68.82 125.83 92.22 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.726 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.27 49.83 2.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.927 2.418 . . . . 0.0 111.656 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.15 -179.583 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.435 ' HB ' ' HG ' ' A' ' 624' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.506 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ASN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 623' ' ' LEU . 56.3 t30 -133.24 146.66 51.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.23 158.83 16.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.017 0.437 . . . . 0.0 109.953 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.84 146.04 33.91 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.01 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.528 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 22.0 m-85 -105.13 132.43 51.35 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.44 126.11 44.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 123.16 29.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.12 0.486 . . . . 0.0 110.698 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.52 HD13 ' HE1' ' B' ' 542' ' ' TYR . 12.2 tp -109.34 145.52 35.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.97 122.28 34.34 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.121 0.486 . . . . 0.0 109.916 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.452 ' CB ' ' HD1' ' A' ' 542' ' ' TYR . 1.6 mm? -118.35 130.11 55.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.436 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.457 ' HB2' ' CD1' ' B' ' 530' ' ' TYR . 95.8 p -75.86 157.16 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.65 -29.06 58.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.54 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.21 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -83.4 -30.05 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.712 179.371 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.55 ' CE1' HD13 ' B' ' 535' ' ' LEU . 62.1 t80 -54.2 -50.41 67.16 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.982 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.919 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.0 p -67.58 -33.76 75.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -65.84 -44.0 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.522 HG22 ' HE2' ' B' ' 548' ' ' PHE . 60.6 t -71.64 -43.74 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 111.827 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.5 t -60.4 -51.11 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.241 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.84 -33.16 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.4 t80 -60.63 -50.85 71.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' B' ' 544' ' ' LYS . 16.6 mt -70.79 -29.76 66.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.327 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.31 77.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.6 mmt85 -63.6 -46.07 87.45 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.381 0.61 . . . . 0.0 109.47 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 552' ' ' GLU . 2.4 mm-40 -69.04 -39.76 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -67.66 -22.91 65.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.12 -20.76 60.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.352 0.596 . . . . 0.0 110.631 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.73 159.79 37.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.337 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -75.22 123.93 8.12 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 N-CA-C 108.537 -1.37 . . . . 0.0 108.537 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 56.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.401 0.619 . . . . 0.0 110.675 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -132.73 162.13 32.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.163 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -58.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -153.29 52.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.176 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.9 p -158.94 121.21 1.93 Allowed Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.871 0.367 . . . . 0.0 111.032 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 5.2 Cg_exo -75.33 99.67 1.29 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.103 2.536 . . . . 0.0 111.374 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.71 -10.51 59.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.788 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.02 -50.62 70.39 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.6 p -70.06 -29.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.52 -40.12 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.608 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.536 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.26 -16.8 61.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.536 0.684 . . . . 0.0 109.906 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.33 -12.03 58.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.215 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.8 HG12 ' HD2' ' A' ' 577' ' ' ARG . 26.8 mt -83.4 134.92 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.696 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -90.31 117.15 67.8 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.367 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.696 ' HD2' HD13 ' A' ' 570' ' ' LEU . 56.2 Cg_endo -69.46 28.4 0.17 Allowed 'Trans proline' 0 N--CA 1.471 0.181 0 C-N-CA 123.026 2.484 . . . . 0.0 112.594 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 570' ' ' LEU . 67.3 p -110.45 -16.76 13.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.2 -36.16 14.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.981 0.42 . . . . 0.0 110.634 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 146.52 -144.43 12.72 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.029 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.545 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -116.1 -5.38 11.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.785 0.326 . . . . 0.0 110.523 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -44.48 81.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.537 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.8 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.86 -37.94 89.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.466 ' HA ' HD13 ' A' ' 569' ' ' ILE . 51.3 t80 -62.3 -42.29 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.957 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -45.42 86.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.944 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 29.7 m -60.52 -37.89 82.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 110.652 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -59.88 -40.71 89.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 626' ' ' TYR . 18.3 pt -96.87 9.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 65.85 40.24 4.31 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.326 0.584 . . . . 0.0 111.288 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -99.26 47.74 0.96 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.248 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.65 52.83 3.2 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.833 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.02 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 109.824 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.587 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 5.1 m-20 -68.28 -23.24 64.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.979 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -57.77 -25.76 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.508 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.21 -33.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.349 0.595 . . . . 0.0 110.127 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.35 -37.91 86.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.996 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 73.6 m-85 -67.53 -42.67 82.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.35 -40.31 74.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.286 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.85 98.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.631 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.588 ' HB2' HG22 ' A' ' 616' ' ' ILE . 6.5 t30 -82.22 -10.75 59.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.2 17.32 53.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.027 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.545 HG22 ' CD2' ' A' ' 575' ' ' LEU . 7.9 mt -95.58 87.35 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.789 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.01 15.26 3.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.923 0.392 . . . . 0.0 110.634 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 167.99 11.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.434 0.635 . . . . 0.0 112.127 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.681 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.21 133.68 35.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.584 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.63 -29.56 6.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.997 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -37.19 83.87 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.47 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.927 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.411 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.2 mp -69.68 -43.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 109.716 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.43 -46.55 89.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 4.6 mm-40 -65.97 -33.83 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.757 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.784 ' HA ' HD11 ' A' ' 612' ' ' ILE . 8.0 t80 -64.88 -42.1 95.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.451 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -75.32 -37.29 60.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.091 0.472 . . . . 0.0 110.615 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -78.17 -32.04 49.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 10.8 m80 -110.63 -53.29 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.01 -32.2 0.1 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.931 0.893 . . . . 0.0 111.147 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -108.7 31.54 5.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.2 OUTLIER -52.58 -58.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.864 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -57.97 -41.02 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.537 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.97 -35.51 78.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.474 0.654 . . . . 0.0 110.041 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -69.82 -43.06 72.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.443 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.8 pt -72.73 -26.5 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.476 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.37 34.29 2.33 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.056 -1.068 . . . . 0.0 114.098 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.18 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.041 0.421 . . . . 0.0 110.12 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -64.27 121.0 13.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.325 0.583 . . . . 0.0 110.506 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.8 OUTLIER -58.73 -31.88 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 113.22 -178.401 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -17.41 58.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.474 ' HB3' ' HE2' ' A' ' 625' ' ' LYS . 6.6 mtmm -132.63 3.36 3.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.948 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 3.4 tp -53.33 -44.19 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.435 ' HG ' ' HB ' ' A' ' 528' ' ' THR . 0.9 OUTLIER -59.64 -45.13 92.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.72 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -62.25 -36.41 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-30 -67.64 -46.09 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.489 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -64.62 -38.92 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.453 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -47.49 85.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.853 0.359 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.27 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.97 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -56.63 -44.73 81.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.819 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.528 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 1.9 mm? -63.5 -44.87 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.013 0.435 . . . . 0.0 111.561 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -39.55 94.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.2 t80 -60.16 -46.65 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.89 89.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.4 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.417 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.5 mt -63.15 -48.31 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.626 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.547 ' HG2' ' HE2' ' A' ' 641' ' ' LYS . 6.2 tt0 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.8 -37.5 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -66.42 -29.78 70.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.522 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.0 mmt -71.43 -32.13 68.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.317 0.58 . . . . 0.0 109.873 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.79 -6.0 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.507 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.919 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.03 138.61 97.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.959 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.55 134.18 10.96 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.539 2.16 . . . . 0.0 110.961 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.499 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.543 0.687 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -103.88 154.98 19.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.456 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.469 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.3 OUTLIER -108.4 126.46 52.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 143.58 57.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.166 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.785 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 17.9 m-85 -87.93 145.99 25.76 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.068 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 533' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -126.25 142.21 51.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.504 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.41 123.28 31.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.082 0.468 . . . . 0.0 111.786 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 542' ' ' TYR . 13.7 tp -110.5 142.37 42.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.531 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 120.45 32.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 545' ' ' VAL . 0.7 OUTLIER -122.2 124.08 42.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.04 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.87 157.16 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.47 48.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.49 74.95 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.45 -30.28 42.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 111.256 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.52 ' HE1' HD13 ' A' ' 535' ' ' LEU . 75.3 t80 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.292 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.743 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.7 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 111.137 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 544' ' ' LYS . . . . . 0.593 ' HD3' HD21 ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.88 -42.5 90.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.498 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.489 HG21 HD11 ' B' ' 537' ' ' LEU . 41.4 t -70.48 -44.63 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.7 t -60.3 -50.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.627 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.76 -37.02 85.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.897 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.6 -50.86 71.76 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.366 0.416 . . . . 0.0 111.286 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -69.44 -31.26 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.76 73.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.758 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 22.1 mmt85 -66.71 -44.84 80.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.713 0.292 . . . . 0.0 110.528 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.48 -32.22 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.356 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.129 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 14.8 mtmt -76.61 -62.26 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.96 122.23 68.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -45.07 124.96 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.664 2.242 . . . . 0.0 113.149 -177.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 557' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -142.08 14.84 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.73 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.1 160.49 22.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.689 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.34 -40.26 4.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -103.19 -0.47 30.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.4 p -131.64 117.08 16.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.074 0.464 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.12 85.87 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.879 2.386 . . . . 0.0 112.048 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -20.13 34.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 7.7 pm0 -59.22 -33.53 71.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.906 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.3 p -81.11 -28.05 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.433 . . . . 0.0 110.207 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.803 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.89 -39.58 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.062 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.493 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -73.79 -13.74 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.383 0.611 . . . . 0.0 110.302 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -14.71 51.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.013 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 8.2 mt -83.54 141.35 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.051 0.453 . . . . 0.0 111.478 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -91.08 119.12 68.88 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' B' ' 599' ' ' MET . 54.7 Cg_endo -68.5 24.97 0.14 Allowed 'Trans proline' 0 N--CA 1.473 0.284 0 C-N-CA 123.123 2.549 . . . . 0.0 112.625 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.501 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.4 p -109.13 -10.92 14.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 -48.11 6.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.62 -143.47 9.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.6 -5.45 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.786 0.293 . . . . 0.0 111.058 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -43.06 75.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 111.357 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.465 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.65 -37.16 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.13 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -64.72 -44.77 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.789 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -64.07 -42.24 97.04 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.6 m -61.4 -37.89 85.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.073 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.91 -40.07 72.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.797 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -99.17 8.79 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.363 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 43.75 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.703 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.728 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -103.15 41.38 1.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.904 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.35 68.02 1.8 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.569 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -178.2 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.684 0.754 . . . . 0.0 109.221 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.08 -21.66 59.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.923 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.593 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.59 -25.87 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.842 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.483 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -60.16 -33.88 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.221 0.534 . . . . 0.0 110.16 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.483 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.35 -38.93 92.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.268 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.593 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 80.0 m-85 -68.8 -44.08 74.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.296 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.94 -39.81 78.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.14 86.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.132 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.44 ' HB3' HG13 ' B' ' 596' ' ' ILE . 3.8 t30 -83.06 -13.67 55.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.3 43.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.028 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.7 mt -97.32 107.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -167.7 25.99 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.318 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.12 171.4 10.88 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.458 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.659 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.91 132.82 35.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.594 179.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.23 -32.62 2.52 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -46.0 90.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.066 0.546 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.73 91.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -39.66 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' B' ' 605' ' ' GLU . 0.1 OUTLIER -62.67 -41.13 98.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 179.159 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' B' ' 604' ' ' ARG . 0.5 OUTLIER -66.47 -35.48 80.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.739 ' HA ' HD11 ' B' ' 612' ' ' ILE . 21.7 t80 -66.22 -38.59 88.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.28 -38.91 71.8 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.447 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -78.37 -39.83 38.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.083 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -103.47 -38.72 7.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 74.5 -49.55 0.67 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.024 0.53 . . . . 0.0 111.499 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.57 45.65 0.96 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.965 0.888 . . . . 0.0 108.897 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.832 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -57.16 -54.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.69 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.428 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.6 m-85 -57.54 -37.41 73.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 110.277 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -41.45 92.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -42.96 72.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.524 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.8 pt -70.33 -21.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 617' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 108.43 30.27 3.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.941 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' B' ' 591' ' ' PHE . 18.9 mm -66.13 146.61 13.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -63.67 120.65 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.113 0.482 . . . . 0.0 110.058 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.4 OUTLIER -54.64 -37.29 65.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.029 -178.258 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -13.25 47.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 111.817 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 15.5 mtpt -125.15 -1.56 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.73 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 14.4 tp -54.64 -45.49 73.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.754 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -42.65 99.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.631 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.513 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 2.6 tttt -65.64 -36.74 84.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.513 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.8 m-30 -68.89 -45.91 69.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.4 -36.5 82.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.74 -49.89 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.371 0.605 . . . . 0.0 109.759 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.19 -41.97 80.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.619 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.832 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.4 t80 -57.99 -49.47 76.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.86 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.785 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 3.2 mm? -63.9 -43.6 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.561 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 37.5 m -61.5 -40.88 96.2 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.082 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.803 ' HD1' HG13 ' B' ' 566' ' ' VAL . 25.9 t80 -63.33 -44.44 94.89 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.25 -39.58 87.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.899 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.459 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -65.01 -44.23 89.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.196 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.556 HD11 ' HB1' ' B' ' 553' ' ' ALA . 54.2 mt -62.3 -44.92 99.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.44 -40.9 96.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -63.41 -28.65 70.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.472 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.54 0.686 . . . . 0.0 109.79 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.42 -5.26 43.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.044 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.743 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.6 tp -69.21 134.31 89.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.465 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.04 -158.0 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.8 2.333 . . . . 0.0 111.105 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.869 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.11 147.8 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.526 ' HD1' ' HE1' ' A' ' 532' ' ' PHE . 0.1 OUTLIER -129.11 158.52 38.71 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.357 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.22 133.09 43.13 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.121 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.526 ' HE1' ' HD1' ' A' ' 530' ' ' TYR . 13.7 m-30 -90.48 129.23 36.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.409 0.623 . . . . 0.0 110.937 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -113.45 125.37 54.15 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.838 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' THR . . . . . 0.468 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.71 105.15 12.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.83 0.348 . . . . 0.0 110.255 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -104.86 147.62 27.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.18 126.86 36.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -114.38 137.7 51.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.195 -178.621 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.495 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -81.71 157.99 24.38 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -46.78 60.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.35 82.56 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -79.49 -30.88 42.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.74 0.305 . . . . 0.0 111.339 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 546' ' ' VAL . 77.9 t80 -55.91 -51.18 68.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' THR . . . . . 1.027 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.1 p -67.52 -34.5 77.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.179 0.514 . . . . 0.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' LYS . . . . . 0.404 ' HG3' ' HZ ' ' B' ' 548' ' ' PHE . 7.3 tptm -66.16 -44.78 83.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.632 HG22 ' HE2' ' B' ' 548' ' ' PHE . 59.2 t -71.21 -43.07 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.072 0.463 . . . . 0.0 111.68 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 642' ' ' LEU . 54.7 t -60.2 -50.54 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.175 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.7 OUTLIER -69.33 -34.07 74.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.555 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.559 ' HZ ' ' HE2' ' B' ' 544' ' ' LYS . 8.8 t80 -59.7 -51.87 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 110.894 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -72.68 -26.3 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.0 73.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.5 mmt85 -65.86 -43.12 89.37 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -44.06 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -65.11 -21.29 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.967 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -79.8 -11.99 59.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 0.0 110.182 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.97 131.76 22.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.128 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 10.1 Cg_endo -54.71 128.82 31.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.539 2.159 . . . . 0.0 111.923 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -119.22 -13.45 9.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.946 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -130.72 160.71 33.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.957 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -45.23 8.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -40.65 60.63 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.157 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.519 HG23 HG22 ' A' ' 582' ' ' ILE . 3.4 p -104.19 105.96 51.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 0.0 110.394 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 561' ' ' VAL . 36.8 Cg_endo -67.84 110.61 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.64 2.226 . . . . 0.0 111.662 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -33.58 53.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.048 -178.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 8.0 tm0? -65.2 -45.9 82.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.9 p -61.47 -34.25 60.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.303 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.3 t -67.65 -39.99 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.901 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.624 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.08 -15.22 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.334 0.588 . . . . 0.0 109.689 178.795 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.74 -20.59 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.259 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 566' ' ' VAL . 40.7 mt -74.55 141.04 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.745 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -93.58 119.92 66.76 Favored Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.745 ' HD2' HD13 ' A' ' 570' ' ' LEU . 36.7 Cg_endo -67.88 16.73 0.14 Allowed 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.932 2.421 . . . . 0.0 112.394 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 570' ' ' LEU . 62.1 p -107.98 -0.63 21.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 2.5 mt-10 -100.15 -29.48 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.068 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 130.5 -159.73 22.91 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.487 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -105.09 1.23 28.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.236 0.541 . . . . 0.0 109.574 178.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -46.96 78.79 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.729 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.636 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.94 -37.46 78.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.728 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -58.79 -48.6 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -66.44 -32.47 73.87 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 54.1 m -64.35 -45.18 88.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.971 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.6 71.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.566 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.654 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.5 OUTLIER -93.65 5.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.454 -178.487 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 60.17 38.39 20.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.609 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -83.39 -89.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.71 -51.51 4.28 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.076 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -35.06 67.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.498 0.666 . . . . 0.0 110.914 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.01 -24.23 66.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.23 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.402 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -57.08 -24.52 54.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.918 0.389 . . . . 0.0 110.034 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.502 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -60.77 -34.44 59.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.967 178.562 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.502 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -70.02 -39.64 75.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.251 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.429 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 91.7 m-85 -67.21 -44.56 79.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.359 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.18 -38.77 80.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.108 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.59 95.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.09 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.681 ' HB2' HG22 ' A' ' 616' ' ' ILE . 7.6 t30 -80.43 -14.0 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.2 11.13 53.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.815 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.487 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -91.3 81.06 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.66 7.43 7.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.95 0.405 . . . . 0.0 110.303 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' THR . . . . . 0.455 HG22 ' SD ' ' A' ' 599' ' ' MET . 0.2 OUTLIER -114.6 170.9 7.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -84.03 137.98 33.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.929 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.15 -27.61 4.46 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.007 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -37.81 82.7 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.32 -40.81 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.939 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.451 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mp -69.88 -42.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.036 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -59.51 -45.8 90.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.535 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.51 -32.84 74.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.066 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.487 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.2 t80 -66.36 -37.06 84.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.36 0.6 . . . . 0.0 110.516 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.95 -45.13 95.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.462 0.648 . . . . 0.0 109.378 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -79.55 -37.44 36.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 61.2 m-70 -125.98 140.32 52.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.55 -5.3 21.64 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.47 25.14 11.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.814 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.4 OUTLIER -51.09 -57.45 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.242 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -61.09 -41.97 97.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.7 mt-10 -63.82 -38.86 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.243 0.544 . . . . 0.0 109.935 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -66.58 -42.81 86.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.584 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 594' ' ' ASN . 37.2 pt -71.42 -22.41 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.14 25.92 4.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.457 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 21.0 mm -66.87 137.57 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.82 135.74 54.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.907 0.384 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -63.46 -26.57 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.246 -179.051 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -14.26 62.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.172 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -124.92 -5.69 7.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 110.824 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.0 tp -54.07 -44.09 70.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.653 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -48.39 81.96 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -65.04 -37.78 88.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 0.0 110.725 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.654 ' HD1' HD12 ' A' ' 582' ' ' ILE . 19.9 m-85 -66.55 -49.42 66.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 5.7 m-85 -66.61 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.59 -50.76 70.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.346 0.593 . . . . 0.0 110.324 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.99 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.339 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.814 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -62.39 -49.88 73.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.54 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.551 HD12 ' NH2' ' A' ' 635' ' ' ARG . 3.5 mm? -64.51 -44.73 89.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.896 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.8 m -59.57 -42.45 92.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.811 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.508 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -63.07 -40.92 99.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.029 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.92 -38.42 82.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.551 ' NH2' HD12 ' A' ' 631' ' ' LEU . 1.9 mmt85 -62.59 -45.72 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.598 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 567' ' ' SER . 5.3 mt -67.05 -47.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.499 0.666 . . . . 0.0 110.49 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -58.03 -39.05 77.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.451 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 1.2 tp10 -72.54 -36.08 68.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.668 0.27 . . . . 0.0 110.552 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.14 -25.42 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.143 0.497 . . . . 0.0 111.6 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.84 -35.26 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.412 0.625 . . . . 0.0 110.136 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -5.59 39.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.83 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 1.027 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.8 tp -61.59 126.76 87.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.068 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.64 -170.52 0.53 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.808 2.338 . . . . 0.0 111.348 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 644' ' ' LYS . 6.9 mmtt . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.45 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.57 143.58 44.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 111.43 22.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 103.82 15.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.98 147.55 24.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.295 0.569 . . . . 0.0 111.584 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 533' ' ' ARG . . . . . 0.475 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 4.7 mtp85 -103.45 125.78 50.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.725 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 113.85 21.83 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.332 0.587 . . . . 0.0 111.863 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.9 tp -107.17 134.72 49.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.422 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.468 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.49 121.83 33.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.343 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 545' ' ' VAL . 0.6 OUTLIER -120.26 131.78 55.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 -179.318 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -78.32 155.26 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -32.98 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.4 -46.18 67.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.451 ' CD ' HH12 ' A' ' 635' ' ' ARG . 0.0 OUTLIER -81.53 -27.67 34.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.047 0.451 . . . . 0.0 111.718 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.449 ' CE2' HG21 ' B' ' 546' ' ' VAL . 87.5 t80 -52.69 -47.82 66.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.778 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.0 p -61.2 -37.42 82.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.986 0.422 . . . . 0.0 111.424 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 544' ' ' LYS . . . . . 0.559 ' HE2' ' HZ ' ' A' ' 548' ' ' PHE . 7.7 tttt -64.97 -43.0 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.141 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.461 HG21 HD11 ' B' ' 537' ' ' LEU . 98.0 t -70.43 -43.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.392 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' B' ' 642' ' ' LEU . 50.1 t -59.93 -50.18 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.61 -37.35 87.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.14 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.632 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.6 t80 -59.39 -50.03 75.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.449 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.706 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.76 -30.6 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.34 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.39 -35.16 76.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.0 mmt85 -68.65 -39.05 80.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.3 -40.59 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.283 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.75 -21.55 61.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -14.95 60.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.04 132.25 23.11 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.54 128.45 24.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.131 1.887 . . . . 0.0 112.628 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -117.69 -19.34 9.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.733 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -121.12 152.41 38.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.496 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -38.71 10.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -72.98 -34.8 66.67 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 5.4 p -114.28 102.09 54.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.721 ' HB2' HG12 ' B' ' 565' ' ' VAL . 24.1 Cg_exo -63.07 94.98 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.295 2.663 . . . . 0.0 112.532 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -24.9 61.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.426 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.21 -50.74 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.761 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.757 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.6 p -63.93 -29.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.271 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.77 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.01 -39.64 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.218 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.432 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.61 -14.12 60.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 179.226 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -11.43 58.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.688 HG12 ' HD2' ' B' ' 577' ' ' ARG . 6.4 mt -87.54 141.33 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.781 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -87.22 117.79 69.07 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.416 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' B' ' 570' ' ' LEU . 49.7 Cg_endo -69.59 25.05 0.17 Allowed 'Trans proline' 0 C--N 1.335 -0.158 0 C-N-CA 122.823 2.349 . . . . 0.0 112.279 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' B' ' 570' ' ' LEU . 73.1 p -108.65 -3.86 17.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.094 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 573' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' B' ' 570' ' ' LEU . 0.0 OUTLIER -98.99 -79.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -168.42 -134.95 1.8 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.698 HD21 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -128.51 -4.3 5.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.623 0.249 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -45.16 81.18 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.206 0.527 . . . . 0.0 111.186 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.688 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.4 -36.39 84.01 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.22 -44.48 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.216 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.465 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.2 OUTLIER -63.8 -40.23 96.15 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.035 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.1 m -66.83 -37.19 84.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.757 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.53 -36.75 71.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.943 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.581 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -98.45 4.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.623 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.54 43.78 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.387 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.553 ' HB1' ' OD1' ' B' ' 587' ' ' ASP . . . -99.71 -105.29 0.22 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 103.75 -46.51 1.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 115.373 0.909 . . . . 0.0 115.373 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -67.35 -20.1 65.53 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.014 0.911 . . . . 0.0 110.651 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.553 ' OD1' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -74.48 -26.29 59.92 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.815 -178.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 6.9 m -56.62 -25.97 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.516 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -65.84 -34.02 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.001 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.516 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -70.14 -43.2 71.43 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.49 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.429 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.9 m-85 -66.64 -42.1 87.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.195 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.73 -40.39 87.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.14 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.91 96.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.147 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.4 t30 -81.29 -11.6 59.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.027 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.29 17.97 51.15 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.335 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.698 HG22 HD21 ' B' ' 575' ' ' LEU . 8.6 mt -95.06 99.58 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.44 10.84 0.87 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.95 172.0 10.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.29 144.75 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.107 0.48 . . . . 0.0 110.66 -179.195 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.74 -33.2 4.49 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.424 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.99 -49.21 78.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 111.32 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.456 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.58 -38.4 89.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.575 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.5 mp -68.37 -41.2 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.131 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -64.06 -41.49 97.34 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.181 0.515 . . . . 0.0 109.694 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -34.09 77.14 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.204 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.586 ' HA ' HD11 ' B' ' 612' ' ' ILE . 65.5 t80 -66.77 -37.74 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.3 0.571 . . . . 0.0 110.653 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 607' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 45.4 mt-10 -68.29 -38.56 81.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.497 0.665 . . . . 0.0 109.659 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -76.46 -41.17 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.386 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -138.07 147.35 43.96 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.087 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -102.37 -3.02 27.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.59 0.709 . . . . 0.0 109.327 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -115.3 33.96 5.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.71 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.694 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.8 OUTLIER -53.33 -54.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.846 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.1 m-85 -59.36 -39.54 83.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.757 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.13 -32.91 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.37 0.605 . . . . 0.0 109.605 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -36.79 76.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.497 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.4 pt -81.06 -20.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.88 27.8 4.45 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.772 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 17.1 mm -68.42 142.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.903 0.351 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.2 132.94 48.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.1 OUTLIER -65.29 -24.07 67.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.227 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.1 m -69.86 -14.76 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.331 . . . . 0.0 111.686 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 626' ' ' TYR . 2.7 mtpt -123.72 -4.03 8.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 4.8 tp -54.06 -44.8 71.4 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.34 85.83 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.047 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -62.16 -37.13 84.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.16 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.581 ' HD1' HD12 ' B' ' 582' ' ' ILE . 24.2 m-85 -68.85 -50.61 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.552 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -63.61 -33.3 75.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.075 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.38 -51.5 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.505 0.669 . . . . 0.0 109.325 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 629' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' B' ' 566' ' ' VAL . . . -69.13 -43.0 75.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.187 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.694 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -55.72 -49.31 73.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.456 0.702 . . . . 0.0 112.693 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.495 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.9 mm? -64.83 -44.46 89.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.828 0.347 . . . . 0.0 110.64 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 14.6 m -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.367 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' B' ' 566' ' ' VAL . 29.2 t80 -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.85 -40.78 89.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.706 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -61.31 -45.05 96.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.477 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 567' ' ' SER . 22.5 mt -64.1 -44.85 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -59.44 -47.57 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.523 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 5.2 tp10 -63.35 -36.69 84.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.745 0.307 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.7 -24.95 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.335 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.83 67.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 641' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.26 -6.02 42.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.611 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 mp -72.65 131.07 84.73 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.412 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 643' ' ' PRO . . . . . 0.45 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 94.0 Cg_endo -94.11 -140.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.291 2.661 . . . . 0.0 110.935 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.45 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.826 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.286 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.65 136.48 39.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 1.7 t80 -70.77 112.83 7.28 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.604 0.716 . . . . 0.0 112.073 -177.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.52 145.55 31.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.13 147.83 36.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.01 127.37 43.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.19 119.27 20.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.0 110.057 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 4.0 tp -112.16 139.87 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.31 122.54 34.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -114.72 141.47 47.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.735 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -73.44 157.42 36.9 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -48.15 80.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.61 -44.5 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.39 -30.0 64.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.972 0.415 . . . . 0.0 111.679 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 537' ' ' LEU . 93.6 t80 -55.33 -50.42 69.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.892 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.993 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.82 -34.67 78.44 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.069 0.461 . . . . 0.0 111.147 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -66.01 -44.97 83.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.28 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' B' ' 548' ' ' PHE . 57.7 t -71.21 -42.33 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.095 0.474 . . . . 0.0 111.912 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.26 -49.89 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.964 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -67.63 -34.79 77.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.992 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.442 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 0.8 OUTLIER -59.29 -48.7 80.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.945 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 24.5 mt -71.3 -30.47 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 0.0 111.279 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.55 77.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.219 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.3 mmt85 -68.82 -38.43 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.22 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.86 -40.52 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.231 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.2 58.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.032 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.93 -36.7 35.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 27.9 m -100.5 157.01 34.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.546 ' HB3' ' HG2' ' A' ' 564' ' ' GLN . 35.9 Cg_endo -68.62 127.77 16.04 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.827 1.684 . . . . 0.0 108.169 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 557' ' ' ARG . 9.7 ttm-85 -166.62 -26.65 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.839 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' TYR . . . . . 0.416 ' CB ' HG13 ' A' ' 561' ' ' VAL . 20.6 m-85 -97.89 142.09 30.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.099 0.476 . . . . 0.0 110.736 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -66.99 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.34 -26.18 62.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 558' ' ' TYR . 2.1 p -113.41 110.62 50.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.262 0.553 . . . . 0.0 110.641 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 5.2 Cg_exo -75.37 75.03 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.481 2.787 . . . . 0.0 111.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -36.57 84.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.059 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' A' ' 556' ' ' PRO . 0.0 OUTLIER -55.24 -39.56 69.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.5 p -85.48 -29.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.491 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.613 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.52 -39.62 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.036 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.471 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.9 OUTLIER -71.35 -16.11 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.539 . . . . 0.0 110.469 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -21.81 39.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.204 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -83.84 146.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.322 0.582 . . . . 0.0 111.295 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.731 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.1 mm? -102.6 131.96 21.82 Favored Pre-proline 0 C--N 1.314 -0.977 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.731 ' HD2' HD13 ' A' ' 570' ' ' LEU . 13.5 Cg_endo -60.94 -8.26 9.37 Favored 'Trans proline' 0 C--N 1.335 -0.156 0 C-N-CA 122.17 1.913 . . . . 0.0 111.512 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 54.5 p -80.29 -14.16 58.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.12 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.3 OUTLIER -99.93 12.01 37.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.203 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 88.99 -157.64 27.37 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.495 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -116.94 -3.02 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 0.0 110.437 -179.636 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.57 -44.76 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.599 -179.075 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.477 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.67 -41.58 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.736 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -66.57 -36.15 81.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.648 178.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 84.4 m -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.858 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.76 -44.06 81.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.362 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 5.5 pt -90.72 7.86 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptt 60.76 35.44 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.843 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.15 47.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.76 68.93 1.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.475 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 176.2 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.919 0.866 . . . . 0.0 109.047 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.436 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.1 m-20 -71.26 -21.85 62.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.513 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.97 -25.43 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.41 -33.89 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.54 -38.89 88.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.681 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.525 ' CE1' HD11 ' A' ' 618' ' ' ILE . 60.7 m-85 -68.26 -43.83 76.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.263 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.25 -41.11 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.53 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.461 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.5 t30 -82.77 -15.09 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.998 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.43 11.79 55.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 3.9 mt -90.1 109.37 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.747 0.308 . . . . 0.0 111.439 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -168.81 21.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.681 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 172.88 10.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -80.04 134.34 36.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.776 -179.308 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.87 -40.38 2.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.436 ' HA ' ' HE ' ' A' ' 604' ' ' ARG . 0.0 OUTLIER -58.24 -44.44 88.28 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.998 0.519 . . . . 0.0 111.317 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.3 ttt -62.82 -47.07 85.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 0.9 OUTLIER -67.59 -41.18 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 604' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -61.89 -35.16 77.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.056 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 7.2 tp10 -64.92 -35.66 81.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.627 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.832 ' HA ' HD11 ' A' ' 612' ' ' ILE . 81.2 t80 -69.01 -38.45 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 109.655 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 79.4 mt-10 -69.18 -46.87 66.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.81 49.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m80 -111.13 -42.79 3.86 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 75.52 -47.34 0.59 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.992 0.517 . . . . 0.0 111.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -103.51 41.34 1.28 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 109.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.832 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -54.39 -59.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.549 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.8 m-85 -56.74 -43.0 80.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.374 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.1 OUTLIER -65.24 -39.75 93.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.135 0.493 . . . . 0.0 110.984 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -70.52 -43.04 70.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.525 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.471 HD11 HG12 ' A' ' 618' ' ' ILE . 40.9 pt -68.67 -24.3 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.41 24.51 4.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 119.759 -1.21 . . . . 0.0 113.745 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.525 HD11 ' CE1' ' A' ' 591' ' ' PHE . 13.2 mm -67.21 145.98 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.92 128.31 35.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.848 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -71.12 -25.59 62.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.136 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -16.8 64.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.055 0.455 . . . . 0.0 111.545 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 626' ' ' TYR . 17.2 mtmt -126.81 8.85 6.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.848 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.7 tp -53.39 -41.62 66.1 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.517 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -44.35 97.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -67.01 -38.45 85.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.504 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 39.4 m-85 -60.22 -52.86 63.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.25 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.25 -31.21 71.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.582 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.0 -51.86 62.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.701 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.31 77.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.066 0.46 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.749 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -59.18 -45.27 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.261 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.521 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -66.67 -40.84 88.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.619 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -43.26 88.07 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.144 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.613 ' HD1' HG13 ' A' ' 566' ' ' VAL . 1.8 t80 -60.64 -45.67 93.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.851 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -39.0 89.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.565 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 635' ' ' ARG . 0.6 OUTLIER -66.24 -45.55 80.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.836 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 567' ' ' SER . 20.8 mt -64.13 -43.58 97.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.1 -46.32 85.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -35.92 81.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.577 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.9 -24.34 67.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.337 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 11.3 mtp -68.23 -33.05 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -6.43 47.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.993 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -69.41 130.02 91.18 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.226 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -88.61 -168.59 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 111.11 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.761 -0.638 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -110.88 -71.32 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER -121.52 99.62 6.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.458 0.646 . . . . 0.0 112.515 -178.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 61.5 m -114.75 122.77 47.42 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.21 128.39 35.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.295 0.569 . . . . 0.0 111.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 126.19 53.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.007 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 102.87 14.41 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.29 0.567 . . . . 0.0 110.716 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.0 tp -89.84 149.74 22.53 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.607 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.06 121.87 33.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.764 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -112.69 129.88 56.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.611 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.521 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.1 OUTLIER -82.77 158.95 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -48.39 65.2 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.33 65.86 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.23 -29.52 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.15 0.5 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' B' ' 537' ' ' LEU . 58.7 t80 -55.6 -51.75 66.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.618 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.977 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.1 p -67.26 -33.69 75.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.467 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -45.5 79.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.767 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.508 HG21 HD11 ' B' ' 537' ' ' LEU . 54.2 t -71.02 -42.99 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.434 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' B' ' 638' ' ' GLU . 43.5 t -59.11 -50.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.33 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.7 mm-40 -69.45 -33.82 73.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.253 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.683 ' HE2' HG22 ' A' ' 545' ' ' VAL . 0.9 OUTLIER -59.51 -48.04 83.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.241 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.2 mt -72.1 -34.37 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.923 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.88 73.19 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.669 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.5 mmt180 -60.39 -48.53 81.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -33.06 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.09 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.652 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -76.92 -17.94 58.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.186 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -98.4 -44.79 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.943 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.94 127.74 37.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.672 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.624 ' HB3' ' HG2' ' B' ' 564' ' ' GLN . 11.1 Cg_endo -54.95 129.21 34.07 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.93 2.42 . . . . 0.0 111.957 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -149.6 -34.35 0.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.131 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.85 130.36 42.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.976 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -44.19 62.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.187 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -74.03 -36.28 64.4 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 6.2 p -113.64 110.83 49.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.184 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 3.8 Cg_exo -80.36 85.28 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.392 2.728 . . . . 0.0 111.394 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 563' ' ' THR . . . . . 0.465 ' HB ' ' HA ' ' B' ' 553' ' ' ALA . 0.9 OUTLIER -72.21 -26.2 61.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.926 -179.147 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -55.64 -47.16 77.1 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.1 p -71.04 -27.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.029 0.442 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.789 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.41 -36.97 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.483 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -74.3 -15.12 60.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.296 0.569 . . . . 0.0 110.154 179.397 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -16.69 50.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.649 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -79.93 139.46 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.696 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.672 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -89.63 118.09 68.71 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.672 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.6 Cg_endo -67.56 20.63 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.24 0 C-N-CA 123.087 2.525 . . . . 0.0 112.108 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.713 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 53.2 p -108.16 -13.11 14.99 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.315 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -50.72 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.622 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.53 -146.45 14.25 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.238 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.506 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -116.04 -3.77 12.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.489 0.185 . . . . 0.0 111.051 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -44.4 87.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 111.466 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.535 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.33 81.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.998 0.427 . . . . 0.0 110.098 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -47.3 86.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.77 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.501 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.1 OUTLIER -63.39 -42.29 98.79 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -61.84 -37.41 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.544 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.538 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.34 -36.86 71.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.078 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -102.39 9.44 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.021 -179.181 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.8 mttt 61.24 41.65 13.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.406 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.612 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -96.15 46.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.205 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.43 62.66 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.179 -0.534 . . . . 0.0 112.326 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -176.0 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.512 0.673 . . . . 0.0 109.667 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -21.9 62.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.577 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.28 -25.63 59.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.458 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.509 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -61.37 -33.88 58.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.509 HD22 HG12 ' B' ' 589' ' ' VAL . 1.1 mm? -66.15 -38.49 88.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.628 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.451 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 81.9 m-85 -67.34 -44.34 79.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -61.02 -37.7 83.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.82 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.08 96.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.057 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.494 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.8 t30 -80.69 -13.81 58.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.059 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.08 14.61 41.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.256 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.506 HG22 HD21 ' B' ' 575' ' ' LEU . 5.8 mt -95.53 92.68 3.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.5 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 11.1 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 173.6 10.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.119 0.485 . . . . 0.0 111.945 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.713 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 5.7 ptm -80.28 149.84 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.078 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.76 -34.17 2.33 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -47.84 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.581 0.352 . . . . 0.0 111.725 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.81 96.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -40.82 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.092 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -62.76 -45.34 93.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 18.0 mm-40 -65.26 -34.64 78.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.361 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.849 ' HA ' HD11 ' B' ' 612' ' ' ILE . 68.8 t80 -64.91 -38.72 91.9 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.595 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -74.56 -46.2 40.42 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -21.19 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.7 m-70 -122.32 -50.39 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.769 -0.582 . . . . 0.0 112.569 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.31 -33.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.507 0.723 . . . . 0.0 111.639 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 611' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 6.7 t0 -102.78 39.73 1.49 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.467 0.651 . . . . 0.0 109.655 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.849 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -62.74 -58.51 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.204 -178.171 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.8 m-85 -57.29 -40.81 78.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.629 ' HG2' HD11 ' B' ' 623' ' ' LEU . 1.1 mm-40 -66.43 -36.96 84.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.17 0.509 . . . . 0.0 110.235 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 615' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.6 -42.76 73.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.965 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.9 pt -70.88 -22.89 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.37 30.37 3.37 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.032 -1.08 . . . . 0.0 113.245 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.1 mm -66.64 145.56 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.95 129.05 38.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -38.61 84.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.9 m -70.5 -8.84 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.669 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.438 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.8 mtpt -122.79 -5.48 8.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.8 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' B' ' 614' ' ' GLU . 2.3 tp -55.31 -45.07 76.3 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.754 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' B' ' 628' ' ' GLU . 0.0 OUTLIER -60.03 -48.0 83.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.258 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.08 93.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.415 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.612 ' HE1' ' HB2' ' B' ' 584' ' ' ALA . 12.7 m-85 -65.98 -51.57 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 9.2 m-85 -64.86 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.301 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -60.14 -50.04 75.27 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.89 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.99 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.791 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.6 OUTLIER -60.42 -49.43 77.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.388 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.83 -43.51 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.519 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 56.8 m -60.39 -46.46 89.9 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.967 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.789 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.0 t80 -60.47 -44.63 95.69 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.338 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' B' ' 635' ' ' ARG . 5.1 mmt180 -65.88 -44.83 84.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.652 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.2 mt -59.42 -46.47 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 109.859 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -39.62 82.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.291 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HB3' HG11 ' B' ' 546' ' ' VAL . 1.7 mt-10 -68.64 -41.01 79.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.623 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.812 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.38 -24.93 67.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.8 mtt -66.81 -33.62 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 109.56 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -5.69 45.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.803 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.977 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.0 OUTLIER -79.29 133.64 60.1 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.905 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 643' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 11.7 Cg_exo -70.81 -63.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.374 2.049 . . . . 0.0 110.081 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' B' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.237 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -143.24 -48.5 0.31 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.495 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 0.4 OUTLIER -157.19 132.33 8.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 111.522 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.51 147.91 45.57 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.845 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.724 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 1.6 m-85 -93.26 140.86 29.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 0.0 111.195 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 533' ' ' ARG . 4.1 mtp-105 -121.81 126.33 48.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.78 116.84 27.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.48 HD11 ' NH2' ' B' ' 635' ' ' ARG . 20.6 tp -111.55 149.96 30.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.683 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.92 121.89 33.14 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -109.85 141.85 41.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.71 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -74.02 157.91 35.28 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.928 178.174 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.51 71.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.69 -40.76 76.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.442 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.16 -26.38 61.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.599 ' HB2' ' O ' ' A' ' 538' ' ' SER . 75.7 t80 -52.53 -49.82 64.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.377 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.937 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.7 p -66.27 -33.96 76.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.731 0.301 . . . . 0.0 111.299 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.99 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.62 -43.19 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.0 111.645 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.29 -50.5 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.914 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.79 -34.16 77.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.173 -178.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.2 t80 -59.09 -50.61 73.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.984 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.4 mt -71.57 -28.31 63.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.1 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.83 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 20.7 mmt85 -64.1 -47.32 80.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.13 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -67.93 -31.61 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.665 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -71.62 -33.74 69.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.419 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -82.73 -50.32 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 5.4 t -101.98 110.58 62.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.711 ' HG3' ' HB2' ' A' ' 564' ' ' GLN . 99.4 Cg_exo -34.02 126.43 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.121 3.214 . . . . 0.0 114.345 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.536 ' HB3' ' HB3' ' A' ' 552' ' ' GLU . 4.2 ttt180 -169.22 28.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.752 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -106.75 162.11 14.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.2 p -45.88 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.072 0.858 . . . . 0.0 113.149 -178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -144.3 51.89 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 0.0 110.543 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 629' ' ' ALA . 2.0 p -143.66 124.17 7.84 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.407 ' HB2' HG12 ' A' ' 565' ' ' VAL . 19.0 Cg_endo -60.73 94.76 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.139 2.559 . . . . 0.0 111.937 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.42 -32.12 26.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.352 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.711 ' HB2' ' HG3' ' A' ' 556' ' ' PRO . 1.5 tm0? -56.41 -45.09 80.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.199 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.9 p -73.59 -31.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.557 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.551 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.18 -39.92 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.366 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.14 -18.88 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.393 0.616 . . . . 0.0 109.897 179.076 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -86.09 -14.23 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.226 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 565' ' ' VAL . 68.8 mt -73.76 136.13 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.553 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -84.87 115.88 62.85 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.261 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.611 ' O ' ' HB2' ' A' ' 599' ' ' MET . 40.1 Cg_endo -67.76 22.36 0.12 Allowed 'Trans proline' 0 C--N 1.334 -0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.544 ' H ' ' C ' ' A' ' 570' ' ' LEU . 60.1 p -109.93 -16.79 13.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.371 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 577' ' ' ARG . 0.3 OUTLIER -85.46 -43.31 13.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.67 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 145.32 -133.94 5.3 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.0 OUTLIER -123.47 4.04 9.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.828 0.347 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.402 ' HG3' ' OE2' ' A' ' 573' ' ' GLU . 0.9 OUTLIER -57.05 -46.01 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.079 -179.643 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.502 ' HB2' ' OE2' ' A' ' 573' ' ' GLU . 0.0 OUTLIER -68.45 -37.23 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.661 0.267 . . . . 0.0 110.816 179.211 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.26 77.81 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.128 0.49 . . . . 0.0 110.126 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 85.8 m -70.49 -43.39 69.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.619 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.03 -45.22 75.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.121 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.562 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -86.93 1.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.938 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 40.39 30.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.668 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.458 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -58.98 -69.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.157 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 126.39 -127.41 6.04 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.635 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 26.58 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.56 -24.04 62.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 110.09 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -57.71 -25.29 60.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -61.82 -34.15 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -68.47 -38.92 81.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 596' ' ' ILE . 93.7 m-85 -67.33 -39.47 85.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.288 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.445 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.8 t-20 -62.35 -41.87 98.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.046 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.3 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.338 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.594 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.6 t30 -81.88 -11.44 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.382 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 87.31 23.75 39.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.293 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 591' ' ' PHE . 17.7 mt -83.73 -102.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.445 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 37.5 p90 49.26 0.56 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.38 171.67 7.69 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.719 -0.613 . . . . 0.0 111.813 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -80.46 149.64 30.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.681 179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.35 -41.0 2.01 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.479 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 604' ' ' ARG . 2.5 t70 -57.28 -43.96 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.5 ttp -61.49 -46.67 89.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.99 -40.23 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' ARG . . . . . 0.469 ' NH2' ' HG2' ' A' ' 605' ' ' GLU . 6.4 ttp85 -60.76 -47.14 87.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.217 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.469 ' HG2' ' NH2' ' A' ' 604' ' ' ARG . 9.2 mm-40 -62.01 -36.46 81.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.653 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.7 t80 -62.47 -45.08 94.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.641 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.45 -36.84 81.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -76.22 -25.24 54.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.152 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.2 -128.91 0.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 176.46 -35.46 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -106.26 41.26 1.45 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.838 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.653 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.1 mp -52.65 -56.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.46 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.6 m-85 -59.17 -39.62 83.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.26 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -38.29 88.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.227 0.537 . . . . 0.0 110.508 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -42.16 76.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.08 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.594 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.0 pt -70.76 -22.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.66 28.72 3.61 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.113 -1.042 . . . . 0.0 113.32 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 616' ' ' ILE . 17.8 mm -71.83 141.66 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.507 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 8.2 t0 -65.6 134.55 53.53 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.739 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.786 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -68.07 -28.25 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -17.15 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.132 0.491 . . . . 0.0 111.035 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 619' ' ' ASP . 35.0 mtmt -117.62 -3.94 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.756 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.786 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.3 tp -54.75 -44.44 73.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.793 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -48.23 82.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -61.15 -38.12 85.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.562 ' HD1' HD12 ' A' ' 582' ' ' ILE . 23.7 m-85 -69.43 -51.09 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.724 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 8.4 m-85 -65.66 -31.9 73.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.695 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -49.97 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -66.67 -34.42 77.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.699 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.472 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -58.39 -43.69 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.546 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.587 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -61.74 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.223 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -62.88 -46.87 85.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.757 -179.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.99 89.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.618 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -62.09 -39.77 93.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.091 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -66.13 -40.36 90.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 567' ' ' SER . 44.8 mt -61.45 -48.73 87.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.01 -42.81 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.844 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 546' ' ' VAL . 0.8 OUTLIER -62.51 -42.93 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.098 178.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -66.2 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.057 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 22.5 mtt -69.29 -31.35 69.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.459 0.647 . . . . 0.0 109.333 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 641' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -92.81 -6.35 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.703 -179.496 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.937 ' HG ' HG22 ' A' ' 543' ' ' THR . 0.6 OUTLIER -61.64 142.92 94.18 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.436 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 57.5 4.83 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.969 2.446 . . . . 0.0 112.723 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.308 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -85.24 -12.86 51.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.406 0.146 . . . . 0.0 111.189 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.693 ' CD1' ' HA ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -146.2 112.77 5.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.391 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 124.14 46.96 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.466 ' HE1' HD21 ' B' ' 631' ' ' LEU . 19.8 m-85 -87.67 129.22 35.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.208 0.527 . . . . 0.0 111.7 -178.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -125.55 134.36 52.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.832 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 119.18 24.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.147 0.499 . . . . 0.0 110.711 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.67 138.21 38.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.753 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.34 120.99 33.4 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.453 HD11 HG21 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -122.49 142.36 50.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.963 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.587 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -80.99 156.99 25.66 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -46.92 86.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.33 68.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -70.78 -28.06 64.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.179 0.514 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' B' ' 538' ' ' SER . 85.5 t80 -54.24 -50.16 67.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.196 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.63 HG22 ' HG ' ' B' ' 642' ' ' LEU . 40.7 p -61.44 -35.24 77.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -66.05 -44.89 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.453 HG21 HD11 ' B' ' 537' ' ' LEU . 48.1 t -70.84 -41.55 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' B' ' 638' ' ' GLU . 41.3 t -60.18 -50.77 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.811 ' HG3' ' HE3' ' B' ' 644' ' ' LYS . 0.0 OUTLIER -67.35 -31.36 71.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.974 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -58.37 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.686 ' HA ' ' HG3' ' B' ' 552' ' ' GLU . 17.4 mt -72.59 -29.48 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.319 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 550' ' ' ALA . . . . . 0.466 ' HB1' ' HE3' ' B' ' 554' ' ' LYS . . . -63.62 -33.16 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 15.5 mmt85 -65.58 -40.74 93.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.037 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.686 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.1 OUTLIER -68.02 -32.24 72.47 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.456 0.646 . . . . 0.0 109.605 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.71 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -75.84 -35.11 60.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.901 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HE3' ' HB1' ' B' ' 550' ' ' ALA . 34.4 mttt -73.32 -57.08 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 15.6 t -104.79 118.42 56.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.767 ' HD3' ' HB2' ' B' ' 564' ' ' GLN . 2.2 Cg_endo -43.98 126.61 6.2 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.679 2.919 . . . . 0.0 113.986 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 24.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.455 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 558' ' ' TYR . . . . . 0.594 ' HE1' ' HB2' ' B' ' 552' ' ' GLU . 5.7 m-85 -106.71 160.29 15.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.649 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 559' ' ' THR . . . . . 0.449 ' HB ' ' H ' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -75.32 -109.07 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.449 ' H ' ' HB ' ' B' ' 559' ' ' THR . 0.7 OUTLIER -83.84 46.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.64 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' B' ' 558' ' ' TYR . 2.2 p -158.21 125.15 2.59 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.865 0.364 . . . . 0.0 110.997 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.511 ' HG2' ' O ' ' B' ' 581' ' ' ALA . 27.1 Cg_exo -63.95 147.81 91.83 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.02 2.48 . . . . 0.0 111.551 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 563' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -135.02 -43.3 0.73 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.777 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.767 ' HB2' ' HD3' ' B' ' 556' ' ' PRO . 19.7 tt0 -58.61 -43.49 89.6 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.518 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.4 p -66.92 -29.84 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.051 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.527 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.83 -40.23 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.517 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.97 -16.64 62.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.527 0.679 . . . . 0.0 109.926 179.384 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.91 -17.14 41.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.308 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 11.2 mt -79.79 137.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -83.54 121.32 76.44 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.36 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.722 ' HD2' HD13 ' B' ' 570' ' ' LEU . 23.1 Cg_endo -65.11 9.83 0.16 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.496 2.13 . . . . 0.0 112.161 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 28.5 p -108.35 -6.07 16.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.02 -62.43 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.289 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 165.15 -155.42 26.79 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.1 OUTLIER -116.73 -6.94 11.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.911 0.356 . . . . 0.0 110.556 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -40.55 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.441 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.26 -37.18 86.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.276 0.56 . . . . 0.0 109.584 178.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 578' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' B' ' 575' ' ' LEU . 61.9 t80 -63.5 -45.27 91.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.666 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -42.43 96.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.868 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 44.7 m -61.41 -39.18 89.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.034 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -58.72 -45.69 89.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.633 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.453 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.5 pt -86.77 6.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.829 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.34 37.54 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -66.25 -67.6 0.43 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.48 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 94.27 -98.43 2.32 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.817 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -82.85 4.59 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.502 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 7.6 m-20 -70.8 -24.77 62.63 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.228 -0.295 . . . . 0.0 111.461 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.426 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.53 -26.56 65.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 0.0 110.774 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -60.98 -33.66 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.363 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' B' ' 589' ' ' VAL . 1.0 OUTLIER -66.71 -37.95 85.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.252 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.516 ' HA ' HD12 ' B' ' 596' ' ' ILE . 87.7 m-85 -68.24 -42.32 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.017 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -58.81 -43.56 90.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.923 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.29 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.695 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.596 ' HB2' HG22 ' B' ' 616' ' ' ILE . 2.6 t-20 -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.12 15.84 46.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.502 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 591' ' ' PHE . 9.8 mt -83.15 -101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 597' ' ' TYR . . . . . 0.504 ' HA ' HD11 ' B' ' 575' ' ' LEU . 17.8 p90 51.79 -3.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 598' ' ' THR . . . . . 0.417 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.21 171.24 7.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.24 0.543 . . . . 0.0 111.878 -179.239 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -80.86 145.39 31.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.488 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.3 -37.63 2.41 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.454 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.88 -40.86 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.221 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.416 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.4 mt -68.42 -42.91 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.549 ' NH2' ' HG2' ' B' ' 605' ' ' GLU . 4.5 ttp85 -61.53 -40.25 93.98 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.956 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.549 ' HG2' ' NH2' ' B' ' 604' ' ' ARG . 7.1 mm-40 -63.46 -38.55 91.56 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.146 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.709 ' HA ' HD11 ' B' ' 612' ' ' ILE . 79.3 t80 -67.26 -37.49 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.101 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.8 -43.73 78.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -77.04 -41.34 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.498 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 5.4 m-70 -105.87 -132.98 0.32 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.974 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 0.4 OUTLIER 168.0 -33.84 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -98.49 27.27 4.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.338 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -51.17 -61.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.407 -178.714 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.404 ' HA ' HG12 ' B' ' 616' ' ' ILE . 2.9 m-85 -58.07 -39.64 79.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.422 . . . . 0.0 111.097 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.41 94.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.241 0.544 . . . . 0.0 110.772 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -40.9 73.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.016 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.3 pt -68.05 -25.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 617' ' ' GLY . . . . . 0.436 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.29 27.99 3.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.608 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.43 HG12 HD11 ' B' ' 616' ' ' ILE . 19.2 mm -66.05 147.34 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.496 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 14.0 t70 -62.83 121.01 12.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.948 0.404 . . . . 0.0 110.421 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.42 69.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -10.55 59.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.021 0.439 . . . . 0.0 111.338 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.568 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 34.6 mtpt -117.68 -4.96 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.675 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' B' ' 530' ' ' TYR . 3.7 tp -53.69 -43.73 69.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.418 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.693 ' HA ' ' CD1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.701 -178.648 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.516 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -63.4 -37.01 85.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.568 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 2.1 m-30 -67.34 -50.95 57.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.401 ' CD2' ' HG ' ' B' ' 623' ' ' LEU . 7.7 m-85 -65.37 -32.7 74.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.2 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -50.56 73.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.06 80.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.568 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.3 OUTLIER -58.67 -45.07 90.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.31 178.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.518 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.2 mm? -66.77 -39.65 87.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.353 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.478 ' O ' HG13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -63.87 -45.67 88.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.658 0.266 . . . . 0.0 110.342 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -60.68 -42.88 97.98 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.977 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.86 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.48 ' NH2' HD11 ' A' ' 535' ' ' LEU . 11.3 mmp_? -66.02 -43.71 86.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.418 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.71 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -59.64 -49.08 85.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.583 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.248 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.447 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.1 tt0 -67.58 -41.21 84.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.291 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -64.46 -31.81 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.357 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 640' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 4.3 mtm -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.509 0.671 . . . . 0.0 109.543 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -5.08 41.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.314 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' B' ' 639' ' ' ALA . 0.5 OUTLIER -65.26 130.68 94.83 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.044 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.3 111.0 2.15 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.576 2.184 . . . . 0.0 111.755 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.811 ' HE3' ' HG3' ' B' ' 547' ' ' GLU . 1.2 mttm . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.493 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -151.11 76.73 1.24 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.842 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.663 ' CD1' ' HB2' ' B' ' 538' ' ' SER . 0.1 OUTLIER -51.64 156.81 1.26 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.536 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.44 138.88 58.68 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.143 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 26.8 m-85 -104.49 131.75 51.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.178 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 126.58 37.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' THR . . . . . 0.809 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -86.2 103.94 15.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.586 HD13 ' HE1' ' B' ' 542' ' ' TYR . 1.2 tp -88.91 150.36 22.89 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.924 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.68 119.73 31.16 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.378 0.609 . . . . 0.0 109.873 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -120.4 134.03 55.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.915 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 156.92 38.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -39.91 79.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.8 69.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.53 -29.45 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 111.225 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.8 t80 -55.36 -46.81 76.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.319 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' THR . . . . . 1.021 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -64.12 -33.96 76.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.323 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -65.67 -42.41 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.499 HG22 HD11 ' B' ' 549' ' ' LEU . 88.7 t -70.31 -43.22 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 0.0 111.224 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.52 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 44.5 t -60.77 -49.57 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -65.86 -32.38 73.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.055 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.637 ' HE2' HG22 ' B' ' 545' ' ' VAL . 2.7 t80 -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.745 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.3 mt -71.17 -27.2 63.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.422 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 41.3 mmt-85 -62.96 -48.59 78.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.275 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.52 -39.37 90.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.05 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.16 -19.33 56.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.265 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -87.03 -29.19 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.605 0.24 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.97 153.12 49.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 111.563 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.61 127.0 11.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 N-CA-C 108.432 -1.411 . . . . 0.0 108.432 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.83 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.013 0.435 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.47 123.33 37.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -23.9 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.46 0.648 . . . . 0.0 109.277 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -72.23 -42.82 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.449 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.3 p -122.87 113.1 30.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.066 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 17.3 Cg_exo -66.84 81.17 0.34 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.117 2.544 . . . . 0.0 113.318 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.413 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -88.63 -25.81 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.983 0.42 . . . . 0.0 110.846 179.525 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.41 ' HG3' ' H ' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -60.75 -46.84 88.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.063 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 581' ' ' ALA . 12.8 p -75.16 -21.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.278 0.561 . . . . 0.0 110.191 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -68.44 -37.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.634 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -73.72 -14.29 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.685 0.755 . . . . 0.0 110.157 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -82.07 -5.77 58.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 2.2 mt -98.83 145.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 111.535 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.592 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -104.63 123.2 41.01 Favored Pre-proline 0 N--CA 1.441 -0.923 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 599' ' ' MET . 22.9 Cg_endo -60.76 -6.42 5.87 Favored 'Trans proline' 0 C--O 1.226 -0.12 0 C-N-CA 122.696 2.264 . . . . 0.0 112.058 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 73.0 p -80.53 -16.45 54.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.812 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -15.3 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 119.16 -164.17 13.24 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.144 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.491 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -110.33 -1.73 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -44.5 73.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.503 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.21 -36.43 79.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -59.9 -42.84 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.3 OUTLIER -66.81 -41.16 87.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.5 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 49.9 m -62.62 -39.51 94.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 110.494 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.0 -40.73 73.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.628 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 10.1 pt -95.45 7.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.43 42.18 18.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.244 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -81.81 -74.79 0.32 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.74 -64.67 2.96 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.204 -0.522 . . . . 0.0 114.234 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -75.71 -19.72 58.89 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.516 -0.403 . . . . 0.0 111.969 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.456 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 11.3 m-20 -73.82 -25.34 60.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.703 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.48 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -59.85 -26.17 65.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 110.979 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.494 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.37 -33.44 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.494 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.75 -36.97 83.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.579 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.48 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 90.9 m-85 -68.33 -38.3 81.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.395 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.6 t-20 -62.24 -41.34 98.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.597 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.42 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.189 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.58 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.0 t30 -81.74 -10.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.068 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.53 27.77 46.22 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.253 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.58 HG13 ' HB3' ' A' ' 594' ' ' ASN . 22.3 mt -85.19 -106.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.771 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.9 p90 47.74 10.44 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 172.05 11.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.169 0.509 . . . . 0.0 112.361 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.704 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.52 142.77 32.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.794 -179.686 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.86 -47.64 3.58 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.237 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -46.45 88.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.777 0.322 . . . . 0.0 111.377 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.49 ' SD ' HD22 ' A' ' 575' ' ' LEU . 0.1 OUTLIER -63.75 -44.03 94.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.435 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.8 mp -67.85 -40.81 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -62.61 -44.33 96.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.177 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.9 mm-40 -63.33 -36.12 82.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.187 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.67 ' HA ' HD11 ' A' ' 612' ' ' ILE . 50.6 t80 -67.09 -38.72 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.34 -39.05 78.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -76.22 -32.18 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.196 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.438 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 9.1 m-70 -116.48 -139.73 0.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.006 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.438 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.8 OUTLIER 176.63 -22.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.239 -1.346 . . . . 0.0 107.463 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -111.44 33.84 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.808 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.692 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -57.55 -54.3 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.347 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.84 -39.39 84.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.487 ' HG3' HD21 ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.52 -37.63 85.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.406 0.622 . . . . 0.0 110.052 178.492 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.43 78.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.148 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 594' ' ' ASN . 47.1 pt -69.45 -25.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.499 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.457 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 113.73 29.8 2.77 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.831 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.5 mm -65.91 146.1 13.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.489 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 10.6 t70 -64.25 130.52 44.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.65 72.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.716 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -12.8 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 0.0 111.411 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.678 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 13.6 mtpt -119.93 -9.38 9.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 614' ' ' GLU . 8.1 tp -53.51 -45.56 69.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -45.18 92.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.339 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.628 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 1.4 tttt -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.678 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.6 m-30 -68.66 -41.7 78.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.964 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.64 -33.62 76.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.462 ' HB3' HG21 ' A' ' 561' ' ' VAL . 0.1 OUTLIER -62.0 -49.44 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.067 0.46 . . . . 0.0 110.176 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.95 78.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.692 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -62.28 -48.32 80.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 3.2 mm? -61.52 -45.49 94.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.851 0.358 . . . . 0.0 111.827 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.734 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 5.5 m -67.55 -36.04 80.21 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 35.1 t80 -61.75 -41.34 97.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 634' ' ' TYR . . . . . 0.435 ' HE1' HG23 ' A' ' 603' ' ' ILE . 72.6 t80 -59.93 -38.45 82.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.092 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.745 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -67.78 -45.29 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 567' ' ' SER . 55.1 mt -60.89 -45.91 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.97 0.414 . . . . 0.0 110.184 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.456 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 3.7 tm0? -58.98 -42.65 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -36.18 75.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.9 -27.4 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.7 mtt -67.73 -33.12 74.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.555 0.693 . . . . 0.0 109.53 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -5.99 45.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 1.021 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.1 tp -70.57 128.25 91.24 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.377 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.98 -41.97 15.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.547 2.165 . . . . 0.0 111.199 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-O 117.873 -1.061 . . . . 0.0 108.895 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.361 0.601 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -82.39 88.92 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.925 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' B' ' 624' ' ' SER . 1.2 p90 -80.58 136.26 36.22 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.98 134.24 56.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.396 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.62 ' HE2' HD21 ' B' ' 631' ' ' LEU . 3.0 m-85 -88.58 136.18 33.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.936 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.15 132.63 51.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.19 101.39 13.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.125 0.488 . . . . 0.0 110.602 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 542' ' ' TYR . 20.1 tp -93.08 137.2 32.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.231 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.809 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.19 121.66 33.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.559 0.695 . . . . 0.0 111.026 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.617 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 1.3 mm? -119.64 120.91 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.781 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.663 ' HB2' ' CD1' ' A' ' 530' ' ' TYR . 9.6 p -81.4 155.94 25.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -30.36 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.78 -48.21 60.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 545' ' ' VAL . 7.5 mt-10 -83.19 -29.61 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.617 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 69.9 t80 -54.4 -52.4 61.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.753 ' HA ' HD21 ' B' ' 642' ' ' LEU . 15.1 p -61.39 -35.57 77.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -67.34 -44.86 78.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.637 HG22 ' HE2' ' A' ' 548' ' ' PHE . 30.6 t -71.92 -43.6 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.908 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.5 t -59.35 -50.99 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.264 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.1 mm-40 -68.77 -33.43 73.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.385 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 3.2 t80 -61.1 -50.8 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.647 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.53 -26.92 62.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.11 80.05 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 24.5 mmt85 -63.39 -48.15 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.378 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.929 ' HA ' HH12 ' B' ' 557' ' ' ARG . 4.0 mm-40 -66.08 -33.15 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.415 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.483 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.38 -23.21 50.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.586 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.408 ' HE2' HG23 ' B' ' 636' ' ' ILE . 16.1 mttt -86.41 -54.04 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.85 124.23 90.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.841 ' HD3' ' HG3' ' B' ' 564' ' ' GLN . 18.3 Cg_endo -59.13 125.49 18.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.058 1.838 . . . . 0.0 112.013 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 557' ' ' ARG . . . . . 0.929 HH12 ' HA ' ' B' ' 552' ' ' GLU . 0.0 OUTLIER -150.72 13.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.47 124.56 21.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.134 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -24.14 15.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.556 . . . . 0.0 109.545 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' B' ' 625' ' ' LYS . 29.6 t90 -69.14 -42.91 75.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.039 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -129.36 117.51 18.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.95 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.09 95.74 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.959 2.439 . . . . 0.0 111.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -37.28 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.452 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.841 ' HG3' ' HD3' ' B' ' 556' ' ' PRO . 2.9 tm0? -58.57 -43.34 89.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.957 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 581' ' ' ALA . 13.1 p -69.14 -31.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -69.12 -41.28 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.635 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.13 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.519 0.676 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.78 -18.7 43.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.721 HG12 ' HD2' ' B' ' 577' ' ' ARG . 13.3 mt -82.61 144.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.198 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -97.61 123.27 52.68 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.192 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.738 ' HD2' HD13 ' B' ' 570' ' ' LEU . 29.4 Cg_endo -65.98 13.29 0.12 Allowed 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.96 2.44 . . . . 0.0 112.146 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.559 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.7 p -107.91 -8.48 15.94 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.259 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 573' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 3.5 mt-10 -92.35 -49.78 5.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.544 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.67 175.71 27.0 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.758 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.2 OUTLIER -92.61 -12.72 30.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 0.0 110.7 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 576' ' ' GLU . . . . . 0.477 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -56.5 -43.28 79.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.322 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.721 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.22 -37.43 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.079 178.272 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.35 -45.75 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.024 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -42.82 97.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.204 0.526 . . . . 0.0 109.772 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 74.4 m -65.95 -40.37 91.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.889 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.99 -40.96 74.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.718 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.561 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.6 OUTLIER -92.44 1.9 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.248 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 22.7 mttt 59.59 41.62 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.065 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.427 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -65.36 -70.31 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 117.02 -124.58 6.2 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.288 -0.958 . . . . 0.0 114.241 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -72.46 8.27 1.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.427 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 38.1 m-20 -69.62 -24.84 63.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -26.17 63.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.903 0.382 . . . . 0.0 110.548 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -61.43 -34.03 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.298 179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -67.62 -38.8 84.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.29 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.414 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 90.8 m-85 -67.56 -38.74 84.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.775 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -61.49 -38.34 86.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.01 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.489 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.802 ' HB2' HG22 ' B' ' 616' ' ' ILE . 7.7 t-20 -79.65 -8.51 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.355 0.598 . . . . 0.0 110.82 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 85.32 18.94 59.66 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.986 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.599 HG13 ' HB3' ' B' ' 594' ' ' ASN . 9.5 mt -79.72 -106.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 597' ' ' TYR . . . . . 0.519 ' HA ' HD11 ' B' ' 575' ' ' LEU . 23.8 p90 51.62 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.58 172.99 6.56 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.33 0.586 . . . . 0.0 112.552 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.119 -178.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.51 -39.15 2.12 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.517 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.28 -36.44 73.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.527 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -63.68 -45.0 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.527 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.0 OUTLIER -69.23 -40.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 109.808 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -63.07 -46.43 87.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.486 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 19.8 mm-40 -64.84 -33.86 76.99 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.803 ' HA ' HD11 ' B' ' 612' ' ' ILE . 74.6 t80 -65.62 -38.77 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.425 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.41 -45.31 76.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.712 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -77.54 -37.25 51.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.344 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.8 m-70 -102.14 -64.34 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.55 -29.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.125 0.89 . . . . 0.0 109.175 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 611' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 609' ' ' HIS . 53.2 p-10 -105.34 27.14 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.652 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -54.64 -57.57 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.911 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -38.55 84.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.137 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -43.15 72.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.609 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.6 pt -70.39 -21.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.71 28.3 4.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.58 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 15.1 mm -66.81 145.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.31 138.69 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.688 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.93 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.429 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -9.12 17.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.584 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.9 mtpt -119.08 -11.99 9.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.348 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.74 -45.01 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.765 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.401 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -59.61 -41.7 90.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.546 ' HB2' ' CZ3' ' B' ' 560' ' ' TRP . 0.3 OUTLIER -65.4 -40.43 93.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.72 -179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.584 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 25.1 m-85 -66.29 -48.46 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.961 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -64.17 -31.8 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.098 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -62.88 -51.47 66.88 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.87 81.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.225 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.479 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -59.21 -49.38 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.899 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.6 OUTLIER -61.51 -44.56 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.119 0.485 . . . . 0.0 110.043 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 15.5 m -61.27 -46.8 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.511 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -64.17 -40.5 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.077 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -59.73 -38.92 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.937 0.398 . . . . 0.0 110.324 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.647 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -67.9 -43.41 79.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.395 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 633' ' ' PHE . 19.8 mt -62.58 -48.06 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 110.493 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.98 -41.83 88.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.348 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.8 OUTLIER -67.51 -39.6 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.43 -25.94 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.313 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.4 mmm -67.57 -34.8 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.557 0.694 . . . . 0.0 109.993 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -5.92 43.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.187 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 543' ' ' THR . 4.9 tp -73.84 119.65 77.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.657 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.81 -105.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.721 2.281 . . . . 0.0 111.378 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.345 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 120.752 0.311 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ASN . . . . . 0.473 ' OD1' ' HB3' ' A' ' 623' ' ' LEU . 23.1 t-20 -148.16 -56.39 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.31 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.461 ' HE2' ' CB ' ' B' ' 538' ' ' SER . 1.3 t80 -133.19 134.16 43.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.151 0.5 . . . . 0.0 111.369 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.36 142.26 46.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.152 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.664 ' HE2' HD21 ' A' ' 631' ' ' LEU . 20.1 m-85 -115.63 157.03 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -145.92 126.6 14.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.937 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.04 106.09 18.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.07 0.462 . . . . 0.0 110.722 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 26.4 tp -92.48 147.55 22.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.721 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.6 121.76 33.56 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.892 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -111.02 144.49 40.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.406 -178.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.749 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -71.28 156.89 39.0 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.864 178.114 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -52.56 35.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.47 84.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.196 0.522 . . . . 0.0 112.17 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.408 ' CD ' HH22 ' B' ' 635' ' ' ARG . 9.5 mt-10 -79.37 -25.96 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 538' ' ' SER . 71.0 t80 -53.4 -45.97 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.72 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' THR . . . . . 1.039 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -65.42 -34.53 78.51 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.862 0.363 . . . . 0.0 111.539 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -66.91 -42.83 84.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.507 HG22 HD21 ' B' ' 549' ' ' LEU . 44.3 t -70.31 -42.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.341 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 642' ' ' LEU . 44.8 t -60.68 -49.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.753 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -63.9 -35.5 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.077 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.569 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -61.22 -51.22 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.9 mt -68.25 -29.65 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.63 74.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.032 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 22.8 mmt85 -64.53 -49.25 72.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.397 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.425 ' CD ' ' HE ' ' A' ' 557' ' ' ARG . 3.6 mt-10 -68.0 -32.92 73.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.491 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.43 -19.41 56.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.021 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.36 -53.05 4.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.866 0.365 . . . . 0.0 111.155 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 1.7 m -80.83 160.69 65.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.228 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 18.8 Cg_endo -64.28 125.87 15.95 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 N-CA-C 109.146 -1.136 . . . . 0.0 109.146 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.425 ' HE ' ' CD ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -156.04 -41.72 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.03 0.443 . . . . 0.0 110.469 -177.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -88.87 122.47 32.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -19.78 21.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.867 0.365 . . . . 0.0 111.78 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -89.56 -49.73 6.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.927 0.394 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 628' ' ' GLU . 3.0 p -104.76 129.81 24.28 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 7.8 Cg_exo -73.45 89.45 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.055 2.503 . . . . 0.0 112.15 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 5.6 p -84.13 -36.25 23.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -56.18 -48.43 76.36 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.16 -28.54 41.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -70.49 -39.63 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.197 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.15 -14.7 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -15.21 57.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.983 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.652 HG12 ' HD2' ' A' ' 577' ' ' ARG . 5.3 mt -86.23 140.84 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -88.7 123.82 67.02 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.9 Cg_endo -67.79 15.62 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.532 ' H ' ' C ' ' A' ' 570' ' ' LEU . 48.2 p -107.64 -10.56 15.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.15 -122.62 0.08 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.71 16.02 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.766 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -92.56 -7.9 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.764 0.316 . . . . 0.0 110.29 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -37.09 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.652 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.92 -38.4 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.15 0.5 . . . . 0.0 110.347 178.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.08 -45.27 89.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.844 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.75 76.37 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.701 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 47.7 m -64.46 -41.24 96.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.822 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.91 80.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.778 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.465 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 1.9 pt -94.3 7.03 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.538 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER 59.67 40.14 20.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.52 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -82.34 -75.45 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.536 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.99 -64.92 2.66 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.933 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -81.26 -15.79 54.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.58 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 9.2 m-20 -69.06 -23.5 64.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -58.51 -26.09 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.04 -33.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.275 0.56 . . . . 0.0 110.326 179.08 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.468 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -67.64 -36.3 80.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.346 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.641 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 87.8 m-85 -67.56 -43.1 81.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.664 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.62 -32.5 69.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.98 99.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.225 0.536 . . . . 0.0 110.691 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.714 ' HB2' HG22 ' A' ' 616' ' ' ILE . 21.6 t-20 -79.48 -18.77 51.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.239 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 102.91 17.82 17.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.641 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 1.7 mt -99.03 105.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.797 0.332 . . . . 0.0 111.382 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.2 19.68 2.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.374 0.607 . . . . 0.0 110.078 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.89 153.16 40.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.15 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.466 ' HG3' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.58 163.63 21.35 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 88.19 -51.1 3.96 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -34.5 78.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 630' ' ' PHE . 7.5 ttp -60.4 -37.45 80.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.572 178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mt -68.32 -39.89 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.511 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.59 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.43 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 27.6 mm-40 -66.02 -34.72 78.74 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.943 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.939 ' HA ' HD11 ' A' ' 612' ' ' ILE . 91.1 t80 -65.31 -39.12 92.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.81 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.71 64.28 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.96 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -80.04 -20.88 44.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.601 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.9 m-70 -118.33 -66.97 1.02 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 38.3 t30 85.05 -31.13 0.06 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.188 0.93 . . . . 0.0 109.582 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -102.6 25.32 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.939 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -51.26 -56.69 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.777 -178.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.407 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.7 m-85 -57.7 -40.84 80.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.367 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -38.3 87.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.21 0.528 . . . . 0.0 110.397 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -42.8 68.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.005 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.714 HG22 ' HB2' ' A' ' 594' ' ' ASN . 41.4 pt -68.97 -23.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.416 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 109.48 30.4 3.58 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.799 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.64 146.85 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.7 t0 -63.8 124.22 20.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 4.7 m -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.975 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -6.08 52.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.593 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 25.0 mtpt -129.92 -2.08 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.614 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.5 tp -53.66 -44.65 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -41.24 89.85 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 0.2 OUTLIER -70.93 -37.16 72.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.981 0.42 . . . . 0.0 110.869 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.593 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.0 m-85 -68.26 -46.45 70.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.777 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.417 ' O ' HD23 ' A' ' 631' ' ' LEU . 6.8 m-85 -65.62 -34.8 79.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.799 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.6 OUTLIER -64.98 -50.96 64.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.19 87.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.742 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.58 -46.94 87.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.231 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.664 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.7 mm? -63.51 -44.57 93.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 13.1 m -58.47 -44.57 89.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.99 -38.45 82.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.069 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 5.6 mmt180 -66.87 -45.12 79.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.7 mt -61.67 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.29 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.13 -35.69 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.693 0.283 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.81 -29.03 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -31.55 72.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.526 0.679 . . . . 0.0 110.04 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -7.2 36.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.71 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 1.039 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -61.23 119.44 45.88 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.566 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.32 60.95 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.973 2.449 . . . . 0.0 111.374 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 1.8 tttm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.653 -179.181 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.039 0.447 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.16 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.763 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.749 ' CE2' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER -149.48 110.21 4.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.404 0.621 . . . . 0.0 111.487 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 59.1 m -121.9 130.66 53.53 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.657 ' HE1' HD21 ' B' ' 631' ' ' LEU . 55.1 m-85 -88.21 128.89 35.46 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.465 0.65 . . . . 0.0 111.293 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -108.04 127.18 53.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.589 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.88 100.79 4.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.176 0.512 . . . . 0.0 110.162 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.422 HD23 HD21 ' B' ' 537' ' ' LEU . 13.0 tp -87.03 138.2 31.7 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.644 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 121.54 33.38 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.457 HD11 HG21 ' B' ' 545' ' ' VAL . 0.4 OUTLIER -120.6 129.82 53.91 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.461 ' CB ' ' HE2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -83.38 158.05 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.278 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -47.97 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.99 67.38 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.48 -31.33 70.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.059 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.448 ' HD1' ' CB ' ' B' ' 537' ' ' LEU . 75.7 t80 -58.6 -52.85 63.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.144 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.79 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.6 OUTLIER -64.45 -34.31 77.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 544' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.98 -44.63 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.753 179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.457 HG21 HD11 ' B' ' 537' ' ' LEU . 45.1 t -69.93 -43.34 79.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.048 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.9 t -59.77 -49.48 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.147 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.2 OUTLIER -69.14 -35.92 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.727 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.608 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.0 OUTLIER -57.87 -50.9 71.75 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.665 0.269 . . . . 0.0 111.167 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.608 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 8.1 mt -71.15 -29.3 65.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.921 0.391 . . . . 0.0 110.665 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.37 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.049 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.9 mmt85 -64.54 -46.88 80.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.68 -33.13 74.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.258 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -78.87 -23.54 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.46 -53.38 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.061 0.458 . . . . 0.0 111.178 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.07 157.43 45.61 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 126.41 22.43 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 121.091 1.194 . . . . 0.0 109.233 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -36.04 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.082 0.467 . . . . 0.0 110.307 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.78 134.53 34.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -36.07 11.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.152 0.501 . . . . 0.0 111.168 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.403 ' HZ3' ' HA ' ' B' ' 625' ' ' LYS . 1.6 t90 -77.4 -77.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.467 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.1 p -80.52 128.08 73.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.333 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 8.8 Cg_exo -72.56 82.62 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.476 . . . . 0.0 112.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 1.9 p -79.41 -27.34 41.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.567 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -38.9 73.27 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.616 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.668 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -83.32 -27.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -66.67 -41.61 88.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.796 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.1 p -74.13 -19.01 60.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.92 -19.21 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.826 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -78.95 135.43 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.764 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -79.92 121.89 82.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.228 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' B' ' 570' ' ' LEU . 38.2 Cg_endo -68.59 21.03 0.14 Allowed 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 123.197 2.598 . . . . 0.0 112.205 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.6 p -108.92 -8.02 15.33 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.739 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -93.77 -124.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.179 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -136.71 173.83 21.89 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.903 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -75.32 -6.54 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.586 0.232 . . . . 0.0 111.138 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -41.19 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.126 0.488 . . . . 0.0 110.224 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.621 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.58 81.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.853 179.06 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -64.48 -47.56 78.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.209 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.66 94.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.214 0.53 . . . . 0.0 109.704 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 67.5 m -63.97 -44.41 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.066 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.668 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.19 -40.16 76.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.463 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' B' ' 626' ' ' TYR . 1.1 pt -92.87 6.25 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.128 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 56.67 41.64 28.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.493 0.663 . . . . 0.0 110.021 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.453 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -65.96 -61.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.309 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 122.26 -119.54 4.02 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 26.27 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.999 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.57 -22.51 65.26 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.103 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.541 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.92 -25.07 56.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.36 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -60.79 -33.44 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 121.327 0.584 . . . . 0.0 109.611 178.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 0.8 OUTLIER -71.29 -41.06 70.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.353 179.428 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.541 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 96.8 m-85 -66.45 -40.71 89.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.753 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.84 -37.74 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.441 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.62 91.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.822 ' HB2' HG22 ' B' ' 616' ' ' ILE . 5.1 t-20 -83.87 -13.15 54.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.77 49.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' B' ' 575' ' ' LEU . 6.4 mt -94.6 94.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.746 0.308 . . . . 0.0 110.422 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.76 21.52 3.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.123 0.487 . . . . 0.0 110.357 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.52 50.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.351 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.68 148.19 28.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.353 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.51 -50.93 4.11 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -177.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -40.34 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -39.48 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.67 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.51 -39.45 82.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.543 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -61.72 -39.93 93.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 36.4 mm-40 -64.8 -36.31 83.91 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.613 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.691 ' HA ' HD11 ' B' ' 612' ' ' ILE . 12.7 t80 -62.28 -45.33 93.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.74 -44.36 90.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.008 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -79.8 -18.34 51.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -112.88 -59.25 2.04 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.388 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 7.3 t30 80.41 -33.02 0.12 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.702 0.801 . . . . 0.0 110.446 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -109.16 26.7 10.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.2 OUTLIER -52.5 -59.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 113.063 -178.283 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.7 m-85 -58.38 -38.48 77.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 111.142 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.99 -37.09 81.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.269 0.557 . . . . 0.0 110.289 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 615' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 615' ' ' ARG . 0.0 OUTLIER -69.68 -41.36 75.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.55 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.7 pt -72.27 -23.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.45 30.35 3.35 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.97 -1.109 . . . . 0.0 113.454 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 616' ' ' ILE . 17.2 mm -69.38 142.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.58 128.31 35.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -62.47 -27.93 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.109 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -9.73 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -120.59 -10.77 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.486 . . . . 0.0 110.443 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 6.1 tp -53.89 -44.01 70.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.626 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.71 87.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.287 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.403 ' HA ' ' HZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.3 -35.92 82.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.139 0.495 . . . . 0.0 110.801 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.661 ' HD1' HD12 ' B' ' 582' ' ' ILE . 19.9 m-85 -67.14 -51.13 57.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.476 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 12.3 m-85 -64.75 -32.59 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.634 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.545 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.3 OUTLIER -61.95 -50.32 72.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.426 0.632 . . . . 0.0 109.624 178.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 629' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' B' ' 561' ' ' VAL . . . -67.94 -39.08 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.235 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -57.72 -49.58 76.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.911 179.521 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' B' ' 532' ' ' PHE . 3.1 mm? -64.34 -42.98 95.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.094 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 66.7 m -60.11 -46.64 88.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.799 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.4 OUTLIER -64.43 -41.64 96.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.489 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -59.95 -41.98 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.621 ' NH1' ' HB3' ' B' ' 631' ' ' LEU . 0.7 OUTLIER -61.87 -45.24 94.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.796 HD13 ' HB3' ' B' ' 567' ' ' SER . 21.7 mt -64.25 -46.62 92.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.68 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.23 -45.23 84.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.38 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.03 -37.13 67.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.55 -24.77 66.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.35 -39.75 92.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.621 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -92.76 -5.22 51.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.068 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.79 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.1 tp -62.12 117.29 28.29 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.438 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.94 59.18 4.62 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.025 2.483 . . . . 0.0 112.402 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.527 ' HD2' ' HB ' ' B' ' 543' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.772 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.955 0.883 . . . . 0.0 108.81 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -150.85 153.0 34.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.665 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.35 122.98 20.01 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.513 0.673 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.8 148.39 51.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.722 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.682 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 8.4 m-30 -96.2 133.94 39.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.714 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -122.55 145.06 48.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.122 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 111.17 19.08 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.326 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' B' ' 542' ' ' TYR . 26.5 tp -95.97 137.87 34.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.54 120.36 32.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.181 0.515 . . . . 0.0 110.77 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -122.86 124.46 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.404 179.738 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 97.7 p -77.06 156.79 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -59.24 -27.31 65.66 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.88 61.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.927 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.1 OUTLIER -83.33 -29.62 28.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 546' ' ' VAL . 83.1 t80 -53.82 -43.98 69.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.418 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.795 HG22 ' HG ' ' A' ' 642' ' ' LEU . 6.7 p -68.31 -35.16 77.39 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.536 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.57 84.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.765 HG22 ' HE2' ' B' ' 548' ' ' PHE . 21.8 t -70.86 -42.64 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.693 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 542' ' ' TYR . 41.6 t -60.91 -49.1 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.361 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.4 OUTLIER -68.51 -34.65 76.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.197 -179.051 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.611 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.2 t80 -60.87 -51.84 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.9 mt -72.26 -25.85 61.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.563 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.0 76.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.5 mmt-85 -68.79 -39.5 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.529 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.8 -36.1 79.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.696 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.87 -32.0 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.448 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 567' ' ' SER . 27.8 mtmt -72.93 -60.25 2.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.099 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.414 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 19.6 t -80.66 120.42 79.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 1.4 Cg_endo -44.28 126.47 6.57 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 113.531 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.59 9.97 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -112.99 140.99 47.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -73.1 0.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.418 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.4 OUTLIER -73.07 -42.76 62.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.335 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.6 p -90.42 120.92 68.97 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 111.675 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.488 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 10.0 Cg_exo -72.37 98.39 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.204 2.603 . . . . 0.0 111.224 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -30.68 30.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.68 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.73 -49.07 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.134 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.38 -31.36 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.266 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.754 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -68.98 -39.73 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.681 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 554' ' ' LYS . 2.3 p -75.27 -14.06 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.528 . . . . 0.0 110.297 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -21.08 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -86.63 135.12 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.802 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.6 129.59 65.02 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.802 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.1 Cg_endo -66.41 15.45 0.11 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 112.876 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 570' ' ' LEU . 26.1 p -108.1 -0.72 20.95 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.203 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.04 -111.94 0.16 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.401 ' HA2' ' N ' ' A' ' 599' ' ' MET . . . -144.55 -167.72 12.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.716 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.473 ' O ' HD22 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -101.09 -1.46 34.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.911 0.356 . . . . 0.0 110.554 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -47.27 75.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.437 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -68.46 -37.83 80.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.497 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.67 -43.67 98.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -64.25 -41.55 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.342 179.501 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 83.0 m -61.57 -40.1 93.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.05 -38.31 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.321 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 625' ' ' LYS . 6.5 pt -100.36 5.06 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.735 0.303 . . . . 0.0 111.464 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.59 43.88 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -117.42 58.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.99 80.15 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.599 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -103.39 -25.05 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.529 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -74.51 -22.45 59.04 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.089 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.582 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -57.59 -25.9 60.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' A' ' 590' ' ' LEU . 1.0 OUTLIER -61.93 -33.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.523 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' A' ' 589' ' ' VAL . 1.4 mm? -64.78 -36.95 85.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 93.7 m-85 -67.76 -42.49 81.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -56.9 -36.87 70.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.311 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.21 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.432 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.505 ' HB2' HG22 ' A' ' 616' ' ' ILE . 2.9 t-20 -80.08 -11.63 59.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.584 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.67 22.24 26.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.951 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.617 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 3.7 mt -100.14 98.98 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.921 0.391 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.13 16.58 3.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.059 0.457 . . . . 0.0 110.749 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 150.4 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.738 ' SD ' ' HA ' ' A' ' 571' ' ' PRO . 1.3 ttt -82.49 152.35 26.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.6 -47.34 2.79 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.04 -38.86 90.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.497 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -63.99 -34.13 77.29 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.743 178.375 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.559 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.3 mt -68.11 -39.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -60.98 -41.5 96.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.393 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.4 -34.68 78.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.114 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.6 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.2 t80 -64.86 -36.54 84.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.786 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.35 -47.05 87.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.092 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.51 -40.83 28.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.342 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 94.5 m-70 -126.65 128.81 47.32 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.649 HD22 ' HD2' ' A' ' 532' ' ' PHE . 12.0 t30 -91.09 -11.57 38.22 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.552 0.691 . . . . 0.0 110.474 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.39 33.39 4.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.193 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -53.93 -57.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 112.028 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.462 ' CE2' ' HZ ' ' A' ' 591' ' ' PHE . 2.1 m-85 -58.92 -38.9 80.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.283 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.402 ' HG3' ' OH ' ' A' ' 627' ' ' TYR . 13.8 mt-10 -67.94 -36.45 80.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -42.1 74.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.51 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.505 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.2 pt -69.79 -25.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.571 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.76 35.52 2.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.596 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 591' ' ' PHE . 16.9 mm -67.14 145.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.7 125.37 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.533 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.79 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.64 -26.16 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.386 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.08 66.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.267 0.556 . . . . 0.0 110.551 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.519 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 29.6 mtmm -122.21 3.43 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.18 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.79 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 15.6 tp -59.87 -43.42 94.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.077 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -48.89 77.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.519 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.55 -33.68 76.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.101 179.389 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -52.7 63.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.05 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.682 ' HB3' ' HZ ' ' A' ' 532' ' ' PHE . 15.9 m-85 -66.2 -32.46 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.153 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -45.49 78.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.629 0.252 . . . . 0.0 110.505 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.35 77.87 Favored 'General case' 0 CA--C 1.524 -0.034 0 CA-C-O 121.251 0.548 . . . . 0.0 109.817 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.217 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.485 HD11 HD22 ' B' ' 537' ' ' LEU . 0.4 OUTLIER -66.29 -41.14 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.346 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.77 87.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.743 0.306 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.754 ' HD2' HG13 ' A' ' 566' ' ' VAL . 7.0 t80 -63.38 -39.0 93.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.248 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' TYR . . . . . 0.559 ' HE1' HG23 ' A' ' 603' ' ' ILE . 2.6 t80 -60.12 -38.21 82.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.88 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.2 OUTLIER -67.1 -45.43 77.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' A' ' 553' ' ' ALA . 16.1 mt -64.83 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.76 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.519 ' HG2' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.04 -46.96 82.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.272 -179.202 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 638' ' ' GLU . . . . . 0.496 ' HG3' HD13 ' A' ' 642' ' ' LEU . 5.5 tp10 -69.48 -35.78 75.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.749 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.43 -26.36 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.709 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.9 mtt -64.71 -41.76 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.218 0.532 . . . . 0.0 110.094 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -5.73 39.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.996 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.76 127.72 91.91 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.103 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -89.57 64.36 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.16 2.574 . . . . 0.0 110.804 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 644' ' ' LYS . 1.2 tptp . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.929 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 529' ' ' ASN . . . . . 0.426 ' ND2' HD23 ' B' ' 623' ' ' LEU . 51.2 t30 -90.5 -103.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.634 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 4.4 p90 -167.62 128.21 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 141.31 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.651 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.464 ' HE2' HD21 ' B' ' 631' ' ' LEU . 23.0 m-85 -87.05 146.52 26.06 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.143 0.497 . . . . 0.0 110.926 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.89 126.39 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.658 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.62 110.1 22.73 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.461 HD13 ' HE1' ' A' ' 542' ' ' TYR . 1.6 tp -106.73 140.31 39.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.335 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.85 121.59 33.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.221 0.534 . . . . 0.0 109.57 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.485 HD22 HD11 ' A' ' 631' ' ' LEU . 0.6 OUTLIER -115.37 143.09 45.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.23 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.644 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -74.43 154.72 38.64 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -36.07 67.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.876 0.762 . . . . 0.0 112.026 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.65 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.064 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.58 -31.53 47.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.318 0.58 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 535' ' ' LEU . 83.2 t80 -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.675 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.6 p -60.46 -35.67 76.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -44.51 87.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 549' ' ' LEU . 93.2 t -70.17 -43.24 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.289 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.99 -50.91 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -65.37 -34.46 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.742 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.765 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.4 t80 -59.36 -48.42 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.1 mt -71.6 -32.47 68.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.6 78.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.938 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 0.1 OUTLIER -62.78 -45.92 90.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.361 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.482 ' HA ' ' NH1' ' B' ' 557' ' ' ARG . 2.9 mt-10 -67.5 -32.47 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.91 -27.08 49.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.131 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.4 -47.25 14.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.124 0.488 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.611 ' HB ' HH11 ' B' ' 557' ' ' ARG . 58.7 t -84.91 131.21 49.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.7 ' HD3' ' HG2' ' B' ' 564' ' ' GLN . 10.1 Cg_endo -53.01 128.11 27.67 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.492 2.128 . . . . 0.0 112.127 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 557' ' ' ARG . . . . . 0.611 HH11 ' HB ' ' B' ' 555' ' ' VAL . 1.3 mpt_? -136.86 -32.74 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.91 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -105.67 151.01 24.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -48.51 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.709 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -28.92 66.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.699 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.511 HG23 HG22 ' B' ' 582' ' ' ILE . 7.5 p -120.79 96.74 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.418 0.627 . . . . 0.0 109.478 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.651 ' HB2' HG12 ' B' ' 565' ' ' VAL . 32.4 Cg_exo -58.73 106.91 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.822 2.348 . . . . 0.0 111.758 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -39.76 30.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.663 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.7 ' HG2' ' HD3' ' B' ' 556' ' ' PRO . 1.3 tm0? -58.62 -49.95 75.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.849 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' B' ' 562' ' ' PRO . 11.0 p -65.06 -31.3 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.74 HG13 ' HD2' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -67.06 -42.87 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.645 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.737 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -73.18 -13.75 61.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.473 0.654 . . . . 0.0 110.08 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.61 -14.66 54.39 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 4.3 mt -83.57 140.09 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.613 HD13 ' HD2' ' B' ' 571' ' ' PRO . 1.1 mm? -90.71 121.48 68.16 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.698 ' HB3' ' HE1' ' B' ' 633' ' ' PHE . 56.2 Cg_endo -69.72 27.89 0.18 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.229 2.62 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.482 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.8 p -108.86 -17.78 13.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.66 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.9 -110.95 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.43 -170.91 12.89 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.569 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.464 HD21 HG22 ' B' ' 596' ' ' ILE . 0.0 OUTLIER -98.74 2.72 47.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.643 0.258 . . . . 0.0 111.155 -178.591 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -46.75 76.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.073 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -38.37 90.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.372 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -63.42 -46.46 86.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.241 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.447 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.06 -40.53 96.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.479 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -61.09 -41.77 97.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.305 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.19 81.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.112 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.511 HG22 HG23 ' B' ' 561' ' ' VAL . 5.6 pt -94.97 6.39 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.52 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mttm 60.74 40.91 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.299 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -117.22 53.4 0.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.449 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -71.89 -6.95 64.9 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.961 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -17.16 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.504 0.652 . . . . 0.0 110.848 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.465 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.5 OUTLIER -73.85 -21.72 60.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.071 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.7 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.1 OUTLIER -57.19 -25.57 59.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.828 179.009 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -59.14 -33.23 49.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.296 0.569 . . . . 0.0 110.112 179.115 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -69.56 -35.62 75.56 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.647 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.7 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 95.9 m-85 -67.37 -43.13 82.18 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.634 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.99 -31.52 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.058 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.01 95.84 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.7 t30 -82.68 -10.04 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.39 20.21 35.96 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.185 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.464 HG22 HD21 ' B' ' 575' ' ' LEU . 6.5 mt -98.47 94.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 16.06 4.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.381 0.61 . . . . 0.0 109.663 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 149.32 40.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 2.3 mmt -83.17 139.67 33.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 116.13 -53.51 0.62 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.56 -35.69 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.16 0.505 . . . . 0.0 109.79 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.85 -43.51 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.008 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.48 -40.71 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.929 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -63.66 -44.16 94.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.99 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.22 -35.53 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.486 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' B' ' 612' ' ' ILE . 73.6 t80 -62.2 -38.84 90.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.707 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -37.59 80.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.604 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -76.61 -36.31 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.568 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -111.37 -134.92 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.614 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 175.49 -38.06 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -99.78 33.47 2.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.88 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 606' ' ' PHE . 1.1 mp -52.41 -57.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.66 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.422 ' CE2' ' HZ ' ' B' ' 591' ' ' PHE . 2.2 m-85 -60.99 -41.61 96.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.052 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.422 ' CG ' HD21 ' B' ' 623' ' ' LEU . 5.9 mt-10 -62.71 -40.24 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 0.0 110.596 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -43.08 73.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.765 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.564 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.8 pt -66.23 -25.3 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 617' ' ' GLY . . . . . 0.469 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 114.4 27.66 3.29 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.153 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' B' ' 591' ' ' PHE . 16.3 mm -65.91 144.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -64.65 121.66 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.067 0.46 . . . . 0.0 110.706 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.711 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.9 OUTLIER -62.14 -24.02 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.53 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -15.43 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.363 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 8.4 mtmm -117.69 -1.09 11.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 2.6 tp -55.6 -45.35 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.416 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.579 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -61.2 -48.93 79.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.389 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' B' ' 582' ' ' ILE . 0.0 OUTLIER -67.19 -33.69 75.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.384 0.611 . . . . 0.0 109.93 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.454 ' N ' ' HG2' ' B' ' 625' ' ' LYS . 0.2 OUTLIER -64.98 -53.67 42.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.208 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.82 -32.39 73.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 624' ' ' SER . 8.5 tp10 -58.75 -51.48 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.83 -44.34 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.148 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.407 ' HE2' HD13 ' B' ' 612' ' ' ILE . 2.4 t80 -57.49 -49.9 74.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 3.9 mm? -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.27 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 75.6 m -60.83 -41.6 96.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.068 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.74 ' HD2' HG13 ' B' ' 566' ' ' VAL . 7.0 t80 -60.83 -46.12 91.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.815 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.76 -39.04 90.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 631' ' ' LEU . 0.1 OUTLIER -64.66 -44.82 89.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.896 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' B' ' 567' ' ' SER . 54.2 mt -62.83 -44.88 99.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.098 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.18 -43.57 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.28 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' B' ' 641' ' ' LYS . 3.9 tp10 -65.62 -36.26 83.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.757 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.56 -26.33 67.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.814 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 16.9 mtt -67.4 -32.04 72.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.581 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -94.97 -8.64 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.858 179.349 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.757 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.5 tp -69.54 122.97 87.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.414 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.69 60.02 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.676 2.251 . . . . 0.0 111.365 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 121.62 0.724 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -87.07 141.77 28.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.438 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.7 -175.51 4.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 133.31 40.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 7.2 m-85 -92.2 131.7 37.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.25 125.95 50.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 91.57 8.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.107 0.479 . . . . 0.0 109.796 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.34 147.71 22.85 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.183 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.85 122.49 35.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.804 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.4 mm? -117.64 130.12 56.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.435 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.557 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -73.27 157.88 36.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.196 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -46.97 -55.99 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.04 97.28 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.43 -33.63 73.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 0.0 110.259 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' B' ' 535' ' ' LEU . 71.1 t80 -62.84 -51.13 68.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.347 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.928 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -66.22 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.905 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -64.6 -43.63 93.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.4 ' CG2' HD11 ' B' ' 549' ' ' LEU . 69.9 t -71.34 -43.11 73.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 111.59 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 542' ' ' TYR . 54.4 t -60.79 -49.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.19 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -68.58 -34.82 76.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.558 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -59.0 -49.77 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.118 0.485 . . . . 0.0 110.695 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.4 mt -71.43 -26.99 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.248 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.79 82.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.465 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.3 mmt85 -67.95 -42.01 81.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.23 0.538 . . . . 0.0 110.23 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -67.38 -33.88 76.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.62 -24.86 49.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.523 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -81.41 -48.36 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.386 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.65 121.79 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.97 129.42 33.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.825 2.35 . . . . 0.0 112.608 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.72 22.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.877 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -126.19 139.32 53.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -10.4 10.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.569 0.7 . . . . 0.0 109.125 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.485 ' HH2' ' HB2' ' A' ' 624' ' ' SER . 34.8 t90 -92.93 -44.37 8.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.763 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.426 HG11 ' HG2' ' A' ' 628' ' ' GLU . 2.2 p -119.15 130.73 24.68 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.334 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 564' ' ' GLN . 3.3 Cg_exo -77.7 65.6 8.14 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.91 2.406 . . . . 0.0 112.453 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -72.51 -22.0 61.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 562' ' ' PRO . 0.0 OUTLIER -55.88 -48.56 75.36 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.96 0.409 . . . . 0.0 111.537 -179.322 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 569' ' ' ILE . 7.5 p -74.62 -25.85 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.38 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.742 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.53 -42.4 93.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.292 -179.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.606 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -71.17 -16.33 62.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.399 0.619 . . . . 0.0 110.21 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -84.26 -16.97 41.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.606 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 566' ' ' VAL . 15.5 mt -78.31 139.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.151 0.5 . . . . 0.0 111.22 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.724 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -95.03 119.93 65.11 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.414 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.724 ' HD2' HD13 ' A' ' 570' ' ' LEU . 58.5 Cg_endo -70.91 25.71 0.21 Allowed 'Trans proline' 0 N--CA 1.472 0.21 0 C-N-CA 122.993 2.462 . . . . 0.0 112.21 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 62.8 p -109.16 -16.68 14.04 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.693 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.5 -19.4 19.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 133.67 -147.12 18.92 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.571 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -121.88 3.56 9.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 110.032 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -45.83 77.3 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.746 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.431 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.04 -44.14 91.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.921 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -65.44 -38.94 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 20.5 m -65.51 -36.86 85.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.881 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.64 77.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.166 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 626' ' ' TYR . 19.6 pt -98.31 5.35 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.751 0.31 . . . . 0.0 111.297 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 40.62 12.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.751 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -112.46 54.29 0.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.251 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -72.89 6.76 11.36 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -108.7 -24.23 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.775 0.787 . . . . 0.0 110.562 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.25 -21.57 59.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.142 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.617 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.94 -25.42 57.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.228 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.537 HG12 HD22 ' A' ' 590' ' ' LEU . 1.6 p -60.05 -34.13 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.245 0.545 . . . . 0.0 109.932 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.537 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -66.36 -39.31 89.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 77.3 m-85 -67.7 -42.83 81.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.129 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -40.97 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.208 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.12 96.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.249 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.401 ' HB3' HG13 ' A' ' 596' ' ' ILE . 2.9 t-20 -82.57 -11.25 58.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.167 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.97 16.5 56.02 Favored Glycine 0 CA--C 1.511 -0.168 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.292 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.571 HG22 ' CD2' ' A' ' 575' ' ' LEU . 8.1 mt -93.98 106.4 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.93 0.395 . . . . 0.0 111.457 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -167.38 22.87 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.64 172.45 9.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.58 . . . . 0.0 112.317 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.22 135.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.883 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.91 -28.89 2.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.935 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -64.04 -46.13 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.747 0.419 . . . . 0.0 110.432 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.131 178.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.482 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.6 mt -68.06 -40.79 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.545 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.06 -44.8 91.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.64 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.482 ' HB3' HG12 ' A' ' 612' ' ' ILE . 63.9 mm-40 -61.8 -39.75 92.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.677 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.947 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.0 t80 -63.73 -42.51 97.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.756 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 20.3 mt-10 -70.54 -42.04 71.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -78.2 -28.7 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 610' ' ' ASN . 5.9 m-70 -122.93 -54.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 609' ' ' HIS . 35.8 m-80 79.13 -34.79 0.16 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.235 0.614 . . . . 0.0 109.9 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 609' ' ' HIS . 5.1 p-10 -94.5 20.43 8.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.947 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.3 OUTLIER -49.96 -58.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.29 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.465 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.0 m-85 -57.8 -44.11 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.989 0.423 . . . . 0.0 111.241 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 623' ' ' LEU . 1.1 mm-40 -63.47 -39.98 95.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.411 0.624 . . . . 0.0 110.467 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -70.47 -42.63 71.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.24 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.1 pt -67.31 -26.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.604 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.417 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.45 36.03 1.82 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.561 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.1 mm -67.44 144.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.802 0.301 . . . . 0.0 110.689 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 129.97 41.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.7 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -65.2 -26.79 68.29 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -177.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -22.12 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.107 0.479 . . . . 0.0 111.043 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.67 7.77 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.7 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 24.3 tp -61.9 -42.77 99.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.485 ' HB2' ' HH2' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -63.16 -48.25 79.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.4 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.45 -34.14 76.59 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.892 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -60.88 -52.28 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.599 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -66.74 -32.35 73.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.837 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG2' HG11 ' A' ' 561' ' ' VAL . 3.5 tp10 -61.89 -49.84 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.199 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.19 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.505 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -61.09 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.264 -179.186 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 631' ' ' LEU . 0.5 OUTLIER -58.67 -44.15 90.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.898 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 3.2 m -64.01 -41.33 97.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.327 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.742 ' HD1' HG13 ' A' ' 566' ' ' VAL . 10.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.705 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -61.87 -40.91 97.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -63.66 -45.37 90.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.606 HD13 ' HB3' ' A' ' 567' ' ' SER . 38.7 mt -62.78 -46.37 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 110.099 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -59.41 -44.31 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.582 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.446 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -59.2 -29.34 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.565 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 4.3 mtm -66.16 -34.93 79.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.663 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -5.55 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.706 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.928 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.6 tp -63.66 123.67 82.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.233 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 19.7 Cg_endo -87.97 -95.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.992 2.461 . . . . 0.0 111.172 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.793 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.959 0.409 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 529' ' ' ASN . . . . . 0.827 ' HB3' HD23 ' B' ' 623' ' ' LEU . 17.6 p-10 -96.09 -176.34 3.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.165 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.492 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.2 p90 -122.78 173.93 7.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 148.75 30.7 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.71 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -115.61 137.33 52.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 533' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 5.5 mtp180 -131.23 141.61 50.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.331 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.56 143.14 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.697 0.284 . . . . 0.0 111.388 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.5 tp -133.96 140.45 46.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.84 124.19 36.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.536 0.684 . . . . 0.0 111.533 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -119.66 126.9 52.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.911 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 156.18 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -42.24 63.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.57 91.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.71 -29.37 36.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.768 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 546' ' ' VAL . 68.2 t80 -54.91 -51.59 65.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.047 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.713 HG22 ' HG ' ' B' ' 642' ' ' LEU . 9.3 p -62.12 -37.12 83.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.805 0.336 . . . . 0.0 111.735 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -66.38 -44.71 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.464 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.9 t -70.74 -41.49 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.26 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.6 t -59.79 -50.42 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.42 -39.03 93.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.696 -179.489 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.8 OUTLIER -58.81 -48.82 79.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.3 mt -71.29 -35.65 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.55 83.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.5 mmt180 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.551 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 548' ' ' PHE . 24.2 mm-40 -68.38 -32.59 72.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.569 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.65 -27.93 55.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.889 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -73.11 -32.68 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.614 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.35 112.76 59.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.583 ' HB3' ' HB3' ' B' ' 564' ' ' GLN . 20.7 Cg_endo -61.24 126.59 19.74 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.123 1.882 . . . . 0.0 112.857 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 8.59 4.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.187 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -130.65 125.72 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.645 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -14.32 26.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.686 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 8.7 t90 -70.33 -52.86 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.345 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.8 p -115.09 123.48 31.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.193 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 16.3 Cg_exo -68.17 85.07 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.11 2.54 . . . . 0.0 112.564 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.95 -19.08 22.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.17 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.583 ' HB3' ' HB3' ' B' ' 556' ' ' PRO . 4.3 pm0 -62.3 -47.59 83.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.807 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.5 p -78.72 -26.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.648 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.726 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -65.0 -39.43 85.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.431 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.535 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.83 -14.15 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.203 0.525 . . . . 0.0 110.793 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -87.87 -15.99 35.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.428 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.855 HG12 ' HD2' ' B' ' 577' ' ' ARG . 25.1 mt -76.24 137.73 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.301 0.572 . . . . 0.0 111.933 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.685 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -93.75 121.26 64.91 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 177.074 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.685 ' HD2' HD13 ' B' ' 570' ' ' LEU . 35.1 Cg_endo -66.99 15.43 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 122.955 2.437 . . . . 0.0 112.516 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.5 p -107.87 0.22 21.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -16.91 15.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.451 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 120.03 -151.07 17.44 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.546 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -115.03 -8.87 12.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.007 0.404 . . . . 0.0 110.735 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.59 74.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.926 0.393 . . . . 0.0 111.461 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.855 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.15 -37.05 83.73 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.152 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.78 -42.62 90.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.858 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -63.83 -44.4 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.359 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.5 m -62.03 -38.81 90.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.952 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.18 -42.4 77.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.194 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.592 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 4.9 pt -96.15 6.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.951 0.405 . . . . 0.0 110.674 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.87 41.78 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.715 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -111.88 54.06 0.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.182 0.515 . . . . 0.0 110.915 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.94 4.08 Favored Glycine 0 N--CA 1.454 -0.164 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.033 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -166.11 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.908 0.861 . . . . 0.0 108.868 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -21.07 60.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.165 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.89 -26.05 58.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.818 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.3 -33.44 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.301 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.71 -35.64 80.6 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.85 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 88.2 m-85 -67.44 -44.34 78.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.571 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.28 -35.29 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.206 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.87 83.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.437 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.624 ' HB2' HG22 ' B' ' 616' ' ' ILE . 2.1 t-20 -86.55 -8.07 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.57 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.3 21.58 31.99 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.387 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' B' ' 575' ' ' LEU . 5.3 mt -104.98 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.62 17.46 1.48 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.888 0.375 . . . . 0.0 110.587 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.96 172.55 8.86 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 5.9 ptp -81.08 134.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.341 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 83.24 -28.19 3.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.47 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -42.14 81.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.903 0.382 . . . . 0.0 110.554 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -38.79 90.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -68.14 -40.52 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 109.693 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -47.05 87.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.271 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.409 ' HB3' HG21 ' B' ' 612' ' ' ILE . 4.6 mm-40 -64.27 -35.55 81.21 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.039 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.601 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.7 t80 -66.77 -36.55 82.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.502 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.397 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -77.19 -40.42 45.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.381 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.78 144.84 51.24 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -1.85 20.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.775 0.797 . . . . 0.0 109.312 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -114.07 27.25 9.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -52.55 -60.73 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.932 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.511 ' HE2' ' CD1' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.89 -38.59 76.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.201 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -38.93 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.151 0.501 . . . . 0.0 110.299 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -69.88 -41.99 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.927 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.624 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.7 pt -69.78 -24.41 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.24 3.38 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.603 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.8 mm -67.53 143.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.92 0.36 . . . . 0.0 110.166 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.818 ' HB3' ' HD2' ' B' ' 622' ' ' LYS . 15.5 t0 -66.84 124.77 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.2 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.798 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -59.31 -28.64 66.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -17.97 65.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.462 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.818 ' HD2' ' HB3' ' B' ' 619' ' ' ASP . 2.8 mttt -113.86 -10.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.065 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.827 HD23 ' HB3' ' B' ' 529' ' ' ASN . 12.4 tp -54.49 -45.11 73.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.748 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.686 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.52 -47.76 82.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.947 0.403 . . . . 0.0 111.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -34.61 77.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.434 0.635 . . . . 0.0 109.787 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.511 ' CD1' ' HE2' ' B' ' 613' ' ' PHE . 0.5 OUTLIER -62.33 -52.54 63.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.815 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -65.68 -32.57 74.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.446 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.1 tp10 -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.65 84.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.503 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -60.72 -49.93 75.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.116 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.557 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.7 mm? -65.52 -44.66 86.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.864 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 635' ' ' ARG . 19.3 m -63.84 -36.07 82.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.726 ' HD1' HG13 ' B' ' 566' ' ' VAL . 16.8 t80 -60.03 -42.04 93.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.668 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.64 -41.39 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.535 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.4 mt -66.07 -45.04 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.456 ' NE2' ' HE2' ' B' ' 641' ' ' LYS . 5.9 tm0? -58.24 -47.03 84.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.151 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.563 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.5 tp10 -63.58 -37.49 87.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.0 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.05 -27.41 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -28.71 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.431 0.634 . . . . 0.0 109.768 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 641' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.25 -6.39 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.665 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.713 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.8 OUTLIER -69.3 117.06 48.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.004 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.81 -9.08 11.04 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.416 ' HG3' HG21 ' B' ' 543' ' ' THR . 4.9 mttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.054 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.227 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.8 157.24 36.29 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 0.2 OUTLIER -122.69 124.62 43.83 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.91 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 1.9 m -71.33 138.23 49.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.845 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 50.3 m-85 -88.44 140.61 29.29 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.249 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.41 126.67 28.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.645 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' THR . . . . . 0.54 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.7 115.98 21.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.959 0.409 . . . . 0.0 109.935 178.718 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.89 150.12 25.12 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.71 122.36 32.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 0.0 109.937 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.0 mm? -118.45 134.79 54.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.602 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.516 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.8 OUTLIER -83.0 158.43 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.36 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -43.21 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.36 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -80.6 -30.39 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.258 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 546' ' ' VAL . 74.7 t80 -55.7 -51.52 67.02 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.55 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.94 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -67.14 -33.66 75.91 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.214 0.53 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -44.24 84.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' B' ' 549' ' ' LEU . 83.8 t -70.97 -44.89 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.229 0.538 . . . . 0.0 111.771 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 542' ' ' TYR . 59.1 t -59.46 -49.5 83.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.082 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -68.85 -34.14 74.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.595 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -59.42 -50.76 72.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.179 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.595 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.3 mt -71.86 -27.62 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.45 -33.24 75.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 37.3 mmt-85 -63.28 -48.39 78.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.909 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 557' ' ' ARG . 14.8 mt-10 -65.86 -32.15 73.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.521 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -76.65 -24.55 53.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.052 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.545 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.9 mtmt -95.28 -55.96 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.323 0.582 . . . . 0.0 109.965 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.92 127.27 43.71 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.3 124.79 8.17 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.517 2.145 . . . . 0.0 112.736 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 552' ' ' GLU . 1.3 mtt180 -163.06 16.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.342 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -100.56 150.76 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -19.27 54.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.108 0.48 . . . . 0.0 109.928 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 3.1 t90 -154.95 148.25 25.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.523 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 560' ' ' TRP . 0.5 OUTLIER 81.08 135.6 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 112.402 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' A' ' 561' ' ' VAL . 78.0 Cg_endo -85.23 98.73 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.052 2.501 . . . . 0.0 111.593 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 1.7 p -79.07 -22.32 45.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.22 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.87 -48.21 75.96 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.75 -30.08 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.994 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.787 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -71.13 -38.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.475 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.466 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.0 -14.53 62.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 110.059 179.322 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -10.69 59.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.407 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.696 HG23 HH11 ' A' ' 577' ' ' ARG . 3.8 mt -92.27 141.58 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.791 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -94.5 127.95 42.03 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.205 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 570' ' ' LEU . 32.4 Cg_endo -67.55 18.96 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.215 0 C-N-CA 122.856 2.371 . . . . 0.0 112.436 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 570' ' ' LEU . 45.8 p -108.25 -13.28 14.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -97.77 -109.64 0.17 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.727 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -147.06 158.71 27.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.914 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.05 -4.89 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.671 0.388 . . . . 0.0 112.032 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 577' ' ' ARG . 0.5 OUTLIER -55.32 -38.25 68.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 120.658 0.266 . . . . 0.0 110.356 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.696 HH11 HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.55 -37.52 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 0.0 110.297 178.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.79 -45.48 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.528 ' O ' HG12 ' A' ' 582' ' ' ILE . 0.3 OUTLIER -66.35 -42.22 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 109.896 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 17.1 m -62.04 -37.17 83.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.46 76.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.26 0.552 . . . . 0.0 111.061 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.82 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -88.65 8.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.977 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.12 39.97 18.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.273 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 626' ' ' TYR . . . -81.2 -85.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.217 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.7 -47.0 2.96 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 121.085 -0.579 . . . . 0.0 114.527 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -79.74 -42.76 23.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.309 0.576 . . . . 0.0 111.814 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.67 -22.35 66.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.878 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.535 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -58.17 -25.1 61.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.092 0.473 . . . . 0.0 110.346 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.521 HG12 HD22 ' A' ' 590' ' ' LEU . 1.2 p -60.15 -34.52 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.521 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -65.25 -36.01 82.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.778 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.535 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 92.0 m-85 -68.26 -43.16 78.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.822 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.93 -40.23 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.7 80.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.407 ' HB3' HG13 ' A' ' 596' ' ' ILE . 22.2 t30 -83.55 -4.8 58.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.208 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 82.86 24.63 52.37 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.227 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.548 HG22 HD21 ' A' ' 575' ' ' LEU . 20.1 mt -89.77 -96.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.691 -0.255 . . . . 0.0 110.524 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.436 ' H ' ' HB ' ' A' ' 596' ' ' ILE . 27.5 p90 54.39 -10.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.578 1.551 . . . . 0.0 115.168 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -112.4 151.13 30.18 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.646 . . . . 0.0 110.501 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.86 135.43 34.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.987 0.422 . . . . 0.0 110.03 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 119.18 -59.58 0.52 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 604' ' ' ARG . 31.3 t70 -61.86 -34.81 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 109.977 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.785 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.466 ' N ' ' HG2' ' A' ' 602' ' ' MET . 2.3 mt -68.57 -40.88 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 604' ' ' ARG . . . . . 0.484 ' HD2' ' OD1' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -62.58 -39.64 94.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.944 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.2 OUTLIER -66.72 -34.07 77.04 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.972 178.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.616 ' HA ' HD11 ' A' ' 612' ' ' ILE . 18.8 t80 -64.94 -42.72 94.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.4 -42.34 92.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.0 OUTLIER -76.48 -25.2 54.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.328 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 4.6 m-70 -117.64 -133.92 0.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 0.0 111.328 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.434 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER 169.97 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -179.325 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -109.54 32.18 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -52.44 -54.41 15.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.749 -178.81 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.2 m-85 -60.92 -42.07 97.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.0 OUTLIER -63.56 -40.13 96.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.305 179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.58 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.3 pt -75.39 -19.51 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.426 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 108.96 27.62 4.79 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.371 -0.918 . . . . 0.0 113.244 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.575 HG22 HD12 ' A' ' 623' ' ' LEU . 11.6 mm -65.98 146.44 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -66.01 121.62 15.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.682 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -65.57 -28.15 68.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.23 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -15.02 61.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 110.637 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -120.5 0.71 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.682 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -55.7 -45.48 77.84 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.273 -179.151 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -40.12 91.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.547 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 0.8 OUTLIER -70.03 -38.5 75.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.159 0.505 . . . . 0.0 110.05 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.82 ' HD1' HD12 ' A' ' 582' ' ' ILE . 16.6 m-85 -67.53 -50.98 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.555 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 15.9 m-85 -65.35 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.74 -50.82 72.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.525 0.678 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.68 80.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.857 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.56 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.7 OUTLIER -55.82 -49.84 72.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.734 -179.048 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 635' ' ' ARG . 1.9 mm? -62.11 -44.77 95.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 5.0 m -55.7 -42.05 74.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.388 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.787 ' HD1' HG13 ' A' ' 566' ' ' VAL . 5.4 t80 -62.58 -44.04 97.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.49 -39.96 92.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.722 ' HD2' ' O ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -63.95 -45.64 88.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.545 HG23 ' HE2' ' A' ' 554' ' ' LYS . 34.2 mt -62.41 -47.22 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.433 . . . . 0.0 110.685 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 641' ' ' LYS . 0.4 OUTLIER -57.26 -46.71 82.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -37.41 86.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 0.0 110.542 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -65.93 -29.04 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.305 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.8 mtm -70.12 -30.7 67.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.169 0.509 . . . . 0.0 109.782 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.41 -4.76 44.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.712 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.9 tp -56.21 131.02 75.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.482 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.13 53.14 3.71 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.097 2.531 . . . . 0.0 112.202 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.714 -179.454 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 528' ' ' THR . . . . . 0.685 ' HB ' ' HB3' ' B' ' 624' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.213 0.53 . . . . 0.0 112.145 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -96.08 82.43 3.49 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -91.96 161.3 14.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.096 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.96 142.94 28.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.947 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.84 138.9 31.05 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.982 0.42 . . . . 0.0 110.121 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 126.44 54.17 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 117.75 28.54 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.419 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.14 142.5 34.81 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -90.92 119.32 31.02 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.329 0.585 . . . . 0.0 110.247 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.3 OUTLIER -121.45 135.19 55.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.277 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.47 156.47 20.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -40.85 77.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.73 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -80.62 -26.27 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 111.23 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' B' ' 537' ' ' LEU . 88.2 t80 -52.3 -47.37 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.296 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.943 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.0 OUTLIER -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -43.37 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.562 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.06 -43.28 76.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.474 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 642' ' ' LEU . 43.0 t -60.23 -50.74 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.65 -30.73 71.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.773 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.522 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -66.87 -48.15 69.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 13.9 mt -72.28 -30.31 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.669 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -60.99 -32.53 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.603 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt-85 -63.15 -47.61 81.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.45 . . . . 0.0 110.084 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.06 -32.45 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.508 ' O ' ' HB ' ' B' ' 563' ' ' THR . . . -76.7 -31.09 57.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.244 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -75.56 -51.17 13.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 80.4 t -105.92 107.79 60.29 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.36 127.62 9.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.449 2.766 . . . . 0.0 114.064 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 20.6 3.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.098 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.84 159.35 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.723 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 2.6 m -72.82 -28.31 62.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.179 0.514 . . . . 0.0 110.781 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.558 ' CZ3' HG23 ' B' ' 561' ' ' VAL . 33.0 t90 -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.578 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.558 HG23 ' CZ3' ' B' ' 560' ' ' TRP . 0.4 OUTLIER 80.4 126.1 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 0.0 112.096 179.02 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 71.7 Cg_endo -94.95 81.06 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 123.591 2.86 . . . . 0.0 111.508 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 563' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -70.08 -10.88 60.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.502 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -58.7 -50.28 74.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -179.234 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 569' ' ' ILE . 7.1 p -71.52 -28.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.798 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -67.06 -39.76 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.688 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.98 -14.36 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.252 0.549 . . . . 0.0 110.294 179.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.67 -17.35 48.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.203 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 7.7 mt -77.22 145.96 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.642 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -93.93 117.84 67.24 Favored Pre-proline 0 C--N 1.318 -0.804 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.642 ' HD2' HD13 ' B' ' 570' ' ' LEU . 43.7 Cg_endo -67.08 18.29 0.11 Allowed 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 123.134 2.556 . . . . 0.0 113.017 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 570' ' ' LEU . 44.7 p -108.33 -10.17 15.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -89.97 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -160.74 162.32 33.4 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.548 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.543 ' HA ' ' HE3' ' B' ' 599' ' ' MET . 0.1 OUTLIER -73.18 -3.19 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.848 0.459 . . . . 0.0 111.887 -179.205 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -41.85 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.064 0.459 . . . . 0.0 110.852 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.438 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.3 OUTLIER -68.23 -36.99 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.13 179.022 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.9 -47.73 82.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.591 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.456 HD12 HD11 ' B' ' 582' ' ' ILE . 0.3 OUTLIER -64.48 -38.33 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.669 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 58.0 m -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.713 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.2 89.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.111 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.516 HD12 ' HD1' ' B' ' 626' ' ' TYR . 3.0 pt -86.88 11.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.04 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.39 38.77 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.366 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.603 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -101.94 -107.11 0.25 Allowed 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 585' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' B' ' 579' ' ' LEU . . . 88.46 -1.25 83.97 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 114.856 0.703 . . . . 0.0 114.856 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -113.74 -13.46 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.372 1.082 . . . . 0.0 109.254 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.603 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -76.04 -22.81 55.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.757 179.196 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -56.25 -25.72 48.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.485 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.544 HG12 HD22 ' B' ' 590' ' ' LEU . 1.3 p -59.51 -34.04 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.815 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.544 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -71.82 -40.28 69.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.762 0.792 . . . . 0.0 109.043 179.126 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' B' ' 596' ' ' ILE . 96.3 m-85 -67.33 -39.69 85.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.506 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 592' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 32.6 t30 -62.81 -40.33 97.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.88 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.97 86.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.182 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.413 HD22 HD11 ' B' ' 596' ' ' ILE . 59.6 t30 -82.52 -8.7 59.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 84.74 25.0 43.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.336 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' B' ' 591' ' ' PHE . 19.1 mt -83.37 -89.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.818 -0.191 . . . . 0.0 110.723 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 597' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 20.6 p90 46.42 6.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 151.46 51.87 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.998 -0.439 . . . . 0.0 110.245 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' B' ' 571' ' ' PRO . 0.2 OUTLIER -82.08 142.35 32.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.147 0.499 . . . . 0.0 110.383 -179.146 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 102.04 -45.84 1.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -40.46 96.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.99 -35.14 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.682 178.7 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.473 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.8 OUTLIER -67.11 -39.53 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -43.26 91.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.396 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 2.8 mm-40 -68.29 -34.17 75.68 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.204 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.608 ' HA ' HD11 ' B' ' 612' ' ' ILE . 9.6 t80 -64.18 -41.68 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.11 -46.28 88.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' B' ' 605' ' ' GLU . 0.4 OUTLIER -78.27 -17.55 56.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.893 -179.288 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 6.5 m-70 -122.51 -140.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.258 0.552 . . . . 0.0 111.157 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 8.1 p30 175.54 -19.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 611' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' B' ' 610' ' ' ASN . 40.0 p-10 -116.05 34.88 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.181 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -55.05 -57.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.823 -178.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -58.28 -45.2 88.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.708 ' HG3' HD11 ' B' ' 623' ' ' LEU . 5.7 mt-10 -59.94 -37.66 80.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.009 0.433 . . . . 0.0 110.55 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -69.8 -41.82 74.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.455 HD11 HG12 ' B' ' 618' ' ' ILE . 35.6 pt -72.56 -9.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 97.92 30.61 7.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.377 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' B' ' 613' ' ' PHE . 1.5 mm -65.33 146.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 122.458 0.303 . . . . 0.0 110.469 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.45 120.39 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.74 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.569 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -64.8 -34.67 78.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.447 -178.289 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -13.21 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.763 ' HB3' ' HE2' ' B' ' 625' ' ' LYS . 23.6 mtmm -133.39 13.17 4.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.904 0.383 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.708 HD11 ' HG3' ' B' ' 614' ' ' GLU . 8.3 tp -56.02 -44.02 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.852 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.685 ' HB3' ' HB ' ' B' ' 528' ' ' THR . 0.0 OUTLIER -60.81 -40.62 93.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.163 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' B' ' 622' ' ' LYS . 1.9 ttpt -62.69 -40.31 96.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.69 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 30.3 m-85 -67.82 -51.29 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -63.79 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.667 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -53.12 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.427 0.632 . . . . 0.0 109.564 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.64 69.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.51 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.7 t80 -55.4 -50.86 68.65 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.555 HD12 ' NH2' ' B' ' 635' ' ' ARG . 3.1 mm? -66.75 -42.27 86.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 19.7 m -61.65 -39.38 91.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.798 ' HD1' HG13 ' B' ' 566' ' ' VAL . 42.3 t80 -61.97 -45.89 91.66 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.31 -38.12 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.4 OUTLIER -62.71 -45.64 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.125 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.5 mt -64.68 -47.61 88.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' B' ' 571' ' ' PRO . 4.9 tt0 -56.9 -41.85 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.064 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.9 -42.68 89.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.054 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -59.68 -27.12 66.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.958 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 640' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -68.52 -34.84 76.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.206 0.527 . . . . 0.0 110.006 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -94.72 -6.67 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.152 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.943 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.1 tp -68.35 129.57 92.74 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.7 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.4 41.5 0.72 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.024 2.483 . . . . 0.0 111.637 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.766 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.528 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' ASN . . . . . 0.496 ' HB2' HD23 ' A' ' 623' ' ' LEU . 63.8 t30 59.09 -120.68 1.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.592 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.1 p90 -161.84 164.19 28.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.911 0.386 . . . . 0.0 110.471 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.35 124.16 27.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.539 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 14.0 m-85 -90.4 131.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.01 132.12 54.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.755 0.312 . . . . 0.0 111.39 -178.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 112.38 19.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' B' ' 542' ' ' TYR . 19.4 tp -96.04 140.15 31.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.528 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.86 121.8 33.8 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.2 mm? -119.36 120.11 35.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -178.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.52 157.98 31.62 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -39.33 35.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.752 0.705 . . . . 0.0 112.36 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.94 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -31.32 50.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.063 0.459 . . . . 0.0 111.244 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.619 ' HE1' HD13 ' B' ' 535' ' ' LEU . 75.9 t80 -57.01 -50.8 71.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.899 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.764 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -64.83 -36.36 84.07 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.941 0.401 . . . . 0.0 111.806 -178.237 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -65.93 -41.77 90.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 537' ' ' LEU . 42.0 t -71.48 -42.26 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.154 0.502 . . . . 0.0 111.444 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 41.5 t -60.43 -50.89 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.201 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.8 OUTLIER -68.8 -32.54 72.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.195 -178.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.543 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -59.82 -50.28 74.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 110.632 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.683 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 15.0 mt -71.19 -27.19 63.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.726 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.88 77.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.078 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.9 mmt-85 -62.6 -48.44 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 0.0 110.245 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.639 ' HA ' ' HD2' ' A' ' 557' ' ' ARG . 12.4 mt-10 -67.72 -32.91 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.463 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.01 -37.78 46.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.098 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 636' ' ' ILE . 17.9 mttt -76.9 -55.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 0.0 110.22 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 76.9 t -94.34 123.85 57.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.674 ' HG3' ' HB3' ' A' ' 564' ' ' GLN . 82.2 Cg_exo -44.86 126.93 7.88 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.592 2.195 . . . . 0.0 112.832 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -131.39 -51.58 1.01 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.486 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -122.53 128.34 50.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.74 14.95 1.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.88 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -43.68 98.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 110.025 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.54 153.93 79.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.727 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.06 60.66 6.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.97 2.447 . . . . 0.0 111.579 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.501 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -66.7 -28.56 68.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.143 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.674 ' HB3' ' HG3' ' A' ' 556' ' ' PRO . 0.1 OUTLIER -55.44 -39.77 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 111.655 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 569' ' ' ILE . 11.4 p -89.57 -27.42 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.005 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.723 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -65.33 -40.9 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.562 ' HB3' HD13 ' A' ' 636' ' ' ILE . 1.1 p -72.45 -15.06 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -80.94 -10.77 59.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.577 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.789 HG12 ' HD2' ' A' ' 577' ' ' ARG . 1.6 mt -97.11 145.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.582 0.706 . . . . 0.0 112.244 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.0 OUTLIER -107.25 126.11 30.85 Favored Pre-proline 0 N--CA 1.44 -0.944 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.264 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 570' ' ' LEU . 48.2 Cg_endo -66.25 0.74 3.02 Favored 'Trans proline' 0 CA--C 1.521 -0.148 0 C-N-CA 122.634 2.223 . . . . 0.0 111.857 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 69.9 p -80.58 -16.65 53.63 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.861 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -101.33 9.72 41.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.016 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 108.65 -156.29 15.76 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.154 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -124.04 -8.49 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.699 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -39.37 68.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.633 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.789 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.78 -37.53 84.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.793 0.33 . . . . 0.0 110.788 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.52 -42.73 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.083 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.674 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -62.67 -44.12 97.06 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.01 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 18.0 m -60.83 -36.25 78.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.97 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.364 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 9.2 pt -96.86 8.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.992 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 65.02 39.18 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.444 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.674 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -109.42 47.19 0.94 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.39 -16.84 58.87 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 114.049 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.34 -15.23 16.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.336 0.568 . . . . 0.0 110.809 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.579 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -75.37 -24.05 57.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.973 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.08 -24.93 60.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.203 0.525 . . . . 0.0 110.116 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -59.22 -33.82 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.263 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.362 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 58.2 m-85 -68.03 -42.87 79.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.365 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.38 -40.25 81.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.083 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.54 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.167 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.551 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.1 t30 -80.86 -14.77 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.844 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.25 20.4 35.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.175 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.9 mt -95.7 104.57 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.78 10.52 0.29 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.282 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.07 172.02 8.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.071 0.462 . . . . 0.0 112.04 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.7 ptp -80.89 150.2 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.762 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.78 -48.1 3.8 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.82 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.34 -45.25 84.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.49 -46.11 91.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.615 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.512 ' HA ' ' OH ' ' A' ' 634' ' ' TYR . 2.1 mp -65.96 -42.0 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -40.19 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.956 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 8.3 mm-40 -64.81 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.076 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 90.0 t80 -66.53 -38.87 88.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 0.0 110.464 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.17 -44.81 64.76 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -79.39 -26.99 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 0.6 OUTLIER -115.37 -49.82 2.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.457 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 81.89 -39.07 0.12 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.775 0.83 . . . . 0.0 111.517 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.31 43.32 1.24 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.508 0.671 . . . . 0.0 110.228 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -56.51 -53.06 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.588 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.448 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.8 m-30 -58.08 -40.21 80.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.488 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -39.71 94.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.297 0.57 . . . . 0.0 110.377 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -42.58 75.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.376 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.551 HG22 ' HB2' ' A' ' 594' ' ' ASN . 50.3 pt -70.4 -22.99 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.78 21.51 5.35 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.858 -1.163 . . . . 0.0 114.136 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.38 143.94 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.471 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 8.2 t70 -65.85 127.91 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.938 0.399 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.718 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.32 -28.44 69.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.457 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -10.46 59.07 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 111.306 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.471 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 22.7 mtpt -122.79 -4.82 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 109.654 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 2.8 tp -54.59 -46.28 73.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.933 -177.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -63.64 -34.47 77.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.942 0.401 . . . . 0.0 111.18 -179.416 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 625' ' ' LYS . 2.8 m-30 -68.52 -49.07 62.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.381 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.495 ' CE2' ' HG ' ' A' ' 623' ' ' LEU . 20.6 m-85 -65.6 -32.27 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.96 -51.0 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.887 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.423 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.627 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -58.42 -48.77 79.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.264 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.46 HD11 HD22 ' B' ' 537' ' ' LEU . 0.2 OUTLIER -62.08 -45.11 94.96 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.21 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.93 89.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.723 ' HD1' HG13 ' A' ' 566' ' ' VAL . 42.6 t80 -59.94 -46.09 90.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.407 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 634' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 603' ' ' ILE . 4.4 m-30 -63.66 -37.35 87.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.965 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.683 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -64.86 -44.09 90.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.916 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.765 HD11 ' HB1' ' A' ' 553' ' ' ALA . 13.1 mt -59.26 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.646 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.14 -47.06 82.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.82 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 638' ' ' GLU . . . . . 0.412 ' HG3' HD13 ' A' ' 642' ' ' LEU . 26.1 tp10 -67.11 -38.01 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.078 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.701 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.74 -27.02 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.495 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.4 mtt -68.15 -35.76 78.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.08 0.467 . . . . 0.0 109.854 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -6.6 38.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.649 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.0 tp -64.4 129.5 94.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.593 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.7 141.8 17.56 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.795 2.33 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.988 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 529' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' B' ' 624' ' ' SER . 5.6 t-20 -105.13 -95.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.436 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.479 ' H ' ' HB3' ' B' ' 529' ' ' ASN . 0.5 OUTLIER -154.26 152.25 30.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.97 -179.076 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 158.52 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.825 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 30.7 m-85 -112.16 137.03 50.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 135.98 51.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.854 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.61 133.1 33.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.816 0.341 . . . . 0.0 111.497 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 542' ' ' TYR . 7.7 tp -128.74 143.01 50.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.62 121.88 34.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.25 0.548 . . . . 0.0 110.951 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -119.77 139.93 51.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.397 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.52 154.73 28.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.01 -42.94 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.47 77.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 11.3 mm-40 -80.13 -31.12 39.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.864 0.364 . . . . 0.0 111.29 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 535' ' ' LEU . 85.4 t80 -57.16 -50.8 71.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.672 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.967 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.2 p -60.93 -35.34 76.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.009 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.84 -45.05 83.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.654 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.5 HG22 ' HE2' ' A' ' 548' ' ' PHE . 43.2 t -70.69 -42.83 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.447 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.8 t -59.64 -51.19 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.911 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.4 mm-40 -70.05 -30.67 67.99 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.01 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -60.38 -49.15 78.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.145 178.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.712 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 14.3 mt -71.21 -31.35 67.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.52 74.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.393 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' B' ' 548' ' ' PHE . 56.9 mmt-85 -59.44 -49.48 77.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.531 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -68.33 -32.54 72.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.643 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.31 -21.93 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.007 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -95.34 -52.23 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.729 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.8 t -88.87 130.26 45.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.2 127.16 2.09 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.88 2.387 . . . . 0.0 112.573 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 557' ' ' ARG . . . . . 0.477 ' HD2' ' HB3' ' B' ' 552' ' ' GLU . 5.6 ttm180 -164.43 -34.77 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.436 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 123.0 29.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 -17.52 18.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' B' ' 624' ' ' SER . 0.1 OUTLIER -63.94 -46.67 83.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.568 HG11 ' HB3' ' B' ' 628' ' ' GLU . 2.8 p -151.25 131.9 7.31 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.609 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.05 112.38 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.918 2.412 . . . . 0.0 111.512 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.62 -16.25 14.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -55.96 -44.42 78.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 111.5 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 565' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.16 -28.07 28.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.784 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.09 -39.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.424 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -73.47 -17.55 61.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.426 0.632 . . . . 0.0 109.933 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -21.06 56.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.298 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.62 HG12 ' HB3' ' B' ' 577' ' ' ARG . 17.1 mt -74.7 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.603 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' B' ' 571' ' ' PRO . 5.3 tp -86.73 115.41 62.3 Favored Pre-proline 0 N--CA 1.437 -1.11 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' B' ' 570' ' ' LEU . 35.7 Cg_endo -65.85 19.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.918 2.412 . . . . 0.0 112.802 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.538 ' H ' ' C ' ' B' ' 570' ' ' LEU . 22.7 p -108.53 -16.13 14.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.056 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -57.79 3.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.81 -127.0 1.6 Allowed Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -136.86 -3.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.717 0.258 . . . . 0.0 111.188 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -55.29 -45.13 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.616 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.62 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.55 -36.69 85.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.457 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.19 -42.87 99.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.776 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.2 OUTLIER -66.26 -40.02 89.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 76.2 m -62.36 -41.24 98.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.112 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.75 -40.43 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.567 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.86 4.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.225 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.98 41.82 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.298 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -108.03 52.42 0.71 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.04 65.7 3.73 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.978 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -168.85 -35.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' B' ' 618' ' ' ILE . 1.3 m-20 -74.13 -21.92 59.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.574 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.15 -25.85 59.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.875 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.359 179.432 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.14 -36.3 82.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.783 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.574 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 84.0 m-85 -67.86 -43.01 80.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.345 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.98 -36.5 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.075 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.09 99.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.413 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.41 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.2 t-20 -83.16 -10.26 58.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 111.249 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.33 22.9 33.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.087 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' B' ' 575' ' ' LEU . 7.5 mt -98.9 87.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.77 0.319 . . . . 0.0 111.521 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.16 18.03 2.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.286 0.565 . . . . 0.0 109.988 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 171.9 13.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.707 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.1 OUTLIER -82.18 153.48 25.96 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.246 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.47 -46.66 3.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.539 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 601' ' ' ASP . . . . . 0.52 ' OD1' ' HD3' ' B' ' 604' ' ' ARG . 0.6 OUTLIER -57.01 -41.75 79.08 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.671 0.389 . . . . 0.0 111.902 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -47.03 87.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.379 0.609 . . . . 0.0 110.417 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.438 HG23 ' HE1' ' B' ' 634' ' ' TYR . 2.1 mp -67.45 -39.61 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.792 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.52 ' HD3' ' OD1' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -60.31 -42.19 95.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.779 178.578 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.571 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -65.81 -33.06 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.71 178.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.879 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.7 t80 -64.49 -37.22 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 0.0 109.751 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.186 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -75.64 -41.03 55.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.426 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -120.49 -41.42 2.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.62 -38.67 0.32 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.341 0.656 . . . . 0.0 110.794 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.84 35.18 2.25 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -49.34 -54.52 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.373 -178.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.01 -43.96 86.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.712 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -66.1 -38.49 88.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.412 0.625 . . . . 0.0 110.163 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -42.75 76.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.659 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' B' ' 594' ' ' ASN . 38.5 pt -70.95 -24.06 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 617' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 113.38 29.58 2.92 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.113 -1.041 . . . . 0.0 113.33 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.0 mm -66.74 146.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 18.9 t70 -64.42 121.62 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.118 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.585 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.5 OUTLIER -61.35 -33.51 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -13.1 62.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.097 0.475 . . . . 0.0 110.784 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' B' ' 619' ' ' ASP . 22.9 mtpt -113.55 -4.91 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.713 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -55.33 -44.61 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.087 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.673 ' HA ' ' ND2' ' B' ' 529' ' ' ASN . 0.0 OUTLIER -60.51 -48.28 82.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.42 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -34.57 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.387 0.613 . . . . 0.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -53.26 52.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.434 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.561 ' HB2' ' ND2' ' B' ' 529' ' ' ASN . 21.3 m-85 -66.41 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.916 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.568 ' HB3' HG11 ' B' ' 561' ' ' VAL . 3.6 tp10 -59.91 -50.86 72.11 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.189 0.519 . . . . 0.0 109.684 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.2 82.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.061 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.423 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -59.74 -48.95 79.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.97 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' B' ' 532' ' ' PHE . 0.5 OUTLIER -57.61 -44.98 85.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.261 0.553 . . . . 0.0 110.195 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 6.6 m -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.579 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.784 ' HD1' HG13 ' B' ' 566' ' ' VAL . 20.9 t80 -62.99 -40.47 97.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 634' ' ' TYR . . . . . 0.438 ' HE1' HG23 ' B' ' 603' ' ' ILE . 63.5 t80 -60.26 -39.98 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.172 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -69.04 -45.45 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.264 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.624 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -60.63 -43.6 95.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.755 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -57.52 -47.65 81.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.992 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -36.03 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.144 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -63.64 -26.67 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.02 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -30.03 68.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.737 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.5 -5.92 41.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.432 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.967 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.9 OUTLIER -65.05 131.86 95.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.188 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.98 69.65 7.38 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.858 2.372 . . . . 0.0 112.009 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.505 ' HB3' ' HE2' ' B' ' 644' ' ' LYS . 8.4 ttpt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.092 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.881 0.372 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.48 -28.88 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.28 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 611' ' ' ASP . 0.1 OUTLIER -123.59 118.05 26.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.698 0.761 . . . . 0.0 112.545 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.797 ' HB2' HG23 ' B' ' 539' ' ' THR . 1.5 m -157.95 74.8 0.74 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.373 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.16 135.54 38.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.263 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -143.68 126.78 16.47 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' THR . . . . . 0.635 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -79.57 100.32 7.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.48 HD13 ' HE1' ' B' ' 542' ' ' TYR . 2.5 tp -83.91 145.34 28.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.215 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.41 121.2 32.17 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.2 mm? -119.57 126.94 52.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.121 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 157.16 32.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.499 ' OG1' ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -52.67 -40.46 62.89 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.213 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.62 72.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.497 ' OE2' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -80.62 -27.26 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.7 t80 -53.99 -46.02 71.6 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.9 HG22 ' HG ' ' A' ' 642' ' ' LEU . 5.4 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.285 0.564 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -44.83 90.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.495 HG21 HD11 ' A' ' 537' ' ' LEU . 73.6 t -71.84 -43.6 68.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.81 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 51.6 t -59.91 -50.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.063 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.682 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.6 OUTLIER -68.66 -32.78 72.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.113 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -58.76 -50.77 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 635' ' ' ARG . 7.3 mt -72.01 -29.03 63.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.175 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.96 79.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -65.72 -44.46 86.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 179.177 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -33.37 74.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.15 -27.45 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.112 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.507 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.0 mttt -84.08 -57.31 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.269 0.557 . . . . 0.0 110.356 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.2 119.58 68.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.418 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 13.6 Cg_endo -57.11 128.36 29.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.447 2.098 . . . . 0.0 112.548 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.88 -32.11 3.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.515 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.64 146.26 52.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.152 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -2.66 52.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -62.51 -34.07 76.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.936 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.3 p -132.83 129.06 21.04 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.8 Cg_exo -74.43 64.71 5.52 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.978 2.452 . . . . 0.0 112.274 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -30.74 65.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -57.11 -47.79 80.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 581' ' ' ALA . 14.7 p -73.99 -26.98 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.116 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.794 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -67.31 -41.63 86.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.631 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -15.02 60.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 109.685 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -80.04 -11.74 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.112 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -94.56 142.13 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.434 178.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.706 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -86.04 127.83 60.38 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.544 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.706 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.3 Cg_endo -68.01 17.63 0.14 Allowed 'Trans proline' 0 N--CA 1.471 0.16 0 C-N-CA 122.831 2.354 . . . . 0.0 112.553 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 35.0 p -108.43 -14.25 14.7 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.691 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.27 -61.24 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.9 -150.33 18.65 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -117.43 -11.87 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.584 0.23 . . . . 0.0 110.774 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.09 -41.66 75.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.58 -37.59 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -62.25 -47.01 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.237 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -62.49 -40.91 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.4 m -61.15 -42.35 98.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.578 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.2 -42.57 77.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.689 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 626' ' ' TYR . 15.9 pt -92.23 8.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.631 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.07 40.83 32.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.962 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -60.48 -62.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.694 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 91.74 -106.7 3.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.928 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.99 -12.66 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.446 ' HA ' HD23 ' A' ' 590' ' ' LEU . 5.4 m-20 -63.62 -26.42 68.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 0.0 110.84 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.8 OUTLIER -62.16 -26.59 68.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.357 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.421 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -63.88 -33.14 60.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.069 0.461 . . . . 0.0 110.525 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.482 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.2 mm? -62.92 -34.35 77.28 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.191 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.548 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 85.0 m-85 -67.48 -43.09 81.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.821 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -31.02 69.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.376 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.71 92.55 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.664 ' HB2' HG22 ' A' ' 616' ' ' ILE . 8.7 t-20 -81.22 -10.12 59.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.741 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.0 19.03 37.76 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.123 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' A' ' 575' ' ' LEU . 3.6 mt -93.45 92.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.763 0.316 . . . . 0.0 111.173 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.17 6.9 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.929 0.395 . . . . 0.0 110.577 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.58 170.67 12.95 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.251 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.533 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -83.0 160.25 22.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.69 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.37 -48.38 3.8 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.09 -38.83 84.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.37 0.268 . . . . 0.0 111.692 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.11 -43.18 92.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.594 0.235 . . . . 0.0 110.725 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.7 OUTLIER -68.85 -41.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.223 0.535 . . . . 0.0 109.819 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -60.62 -46.55 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.3 mm-40 -64.9 -34.65 78.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.647 ' HA ' HD11 ' A' ' 612' ' ' ILE . 1.0 OUTLIER -64.26 -45.25 88.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.734 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.5 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.713 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -21.55 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.805 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.2 m-70 -115.92 -133.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.516 . . . . 0.0 111.303 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 20.3 t-20 170.33 -28.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.211 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ASP . . . . . 0.45 ' HA ' ' OH ' ' A' ' 530' ' ' TYR . 23.3 p-10 -114.08 34.94 4.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.943 -1.48 . . . . 0.0 111.37 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.689 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -53.8 -57.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 627' ' ' TYR . 3.0 m-85 -58.87 -39.95 82.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.2 OUTLIER -66.68 -37.09 84.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.51 0.671 . . . . 0.0 110.209 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -42.57 75.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.462 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.7 pt -70.9 -25.29 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.584 0.23 . . . . 0.0 111.377 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.482 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.53 32.59 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.31 -0.948 . . . . 0.0 113.853 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.509 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.8 mm -66.3 144.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.096 0.448 . . . . 0.0 110.151 179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -65.3 121.14 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 110.202 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.571 ' HA ' ' CB ' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -60.5 -27.67 67.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -22.26 66.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.225 0.536 . . . . 0.0 111.101 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 0.3 OUTLIER -125.36 -4.47 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.542 -179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 620' ' ' SER . 1.3 tp -53.69 -45.27 70.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -43.79 97.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.311 0.577 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.52 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.54 -37.7 85.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.576 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.3 m-30 -61.58 -45.74 92.83 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.885 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 15.8 m-85 -65.39 -30.88 71.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.553 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.55 -52.21 64.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.55 78.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.714 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.689 ' HE2' HD13 ' A' ' 612' ' ' ILE . 2.2 t80 -63.71 -50.55 68.72 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.168 0.587 . . . . 0.0 112.223 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 635' ' ' ARG . 2.1 mm? -67.1 -45.1 78.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.895 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 71.7 m -59.79 -35.65 75.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.794 ' HD2' HG13 ' A' ' 566' ' ' VAL . 29.6 t80 -62.76 -46.39 88.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -61.29 -38.18 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' HD13 ' A' ' 549' ' ' LEU . 35.5 mtt-85 -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.507 HG23 ' HE2' ' A' ' 554' ' ' LYS . 73.5 mt -61.79 -45.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.96 -45.37 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.214 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.88 -37.7 88.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.34 -27.79 68.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 19.4 mtt -68.82 -30.07 68.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.633 . . . . 0.0 109.513 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -96.15 -6.07 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.886 178.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.9 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.7 tp -74.37 124.0 89.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.487 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.492 ' HB2' ' H ' ' A' ' 644' ' ' LYS . 2.9 Cg_exo -76.33 -91.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.939 2.426 . . . . 0.0 110.551 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.492 ' H ' ' HB2' ' A' ' 643' ' ' PRO . 4.6 tmtm? . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.749 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -81.7 -50.05 9.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.145 0.498 . . . . 0.0 110.475 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' B' ' 611' ' ' ASP . 0.2 OUTLIER -86.78 77.4 9.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.117 0.96 . . . . 0.0 113.324 -177.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 531' ' ' SER . . . . . 0.499 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 58.3 m -146.87 77.05 1.45 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 113.975 -1.466 . . . . 0.0 107.152 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.406 ' HE1' HD21 ' B' ' 631' ' ' LEU . 64.9 m-85 -85.71 127.76 34.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.931 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.47 127.69 54.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.519 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.05 92.96 7.99 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.347 0.594 . . . . 0.0 110.501 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.9 tp -84.02 137.71 33.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.395 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -89.43 129.8 35.88 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.316 0.579 . . . . 0.0 110.633 -179.18 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.3 mm? -119.56 130.17 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.84 155.11 17.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.797 HG23 ' HB2' ' A' ' 531' ' ' SER . 0.2 OUTLIER -34.41 -53.04 0.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.98 76.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 1.3 mt-10 -80.99 -31.21 34.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.514 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.1 t80 -56.01 -53.01 62.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.614 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.744 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.2 p -63.47 -37.11 86.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.165 0.507 . . . . 0.0 110.573 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -46.66 77.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.534 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.52 HG22 ' HE2' ' A' ' 548' ' ' PHE . 60.2 t -71.19 -42.19 75.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.626 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 542' ' ' TYR . 48.9 t -59.3 -49.33 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.576 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 543' ' ' THR . 0.0 OUTLIER -68.01 -40.38 82.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.227 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -57.17 -49.36 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.487 0.184 . . . . 0.0 111.272 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 18.0 mt -71.0 -26.66 63.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.765 0.317 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.88 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.072 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -63.41 -40.01 96.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.25 -32.83 74.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.493 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -78.47 -39.58 38.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 39.7 mttt -66.8 -59.01 3.92 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.307 0.575 . . . . 0.0 109.486 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 555' ' ' VAL . . . . . 0.451 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 47.1 t -96.63 111.29 56.72 Favored Pre-proline 0 N--CA 1.445 -0.712 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.478 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -42.38 124.16 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.988 2.459 . . . . 0.0 113.278 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 4.5 mpp_? -144.3 9.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.064 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.44 129.74 56.22 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.117 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 559' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -93.8 150.32 20.48 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' B' ' 625' ' ' LYS . 79.0 t90 79.06 -43.32 0.32 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.939 0.775 . . . . 0.0 111.569 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.9 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.6 p -107.26 126.06 30.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.81 137.51 53.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.652 2.235 . . . . 0.0 111.777 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -34.17 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.478 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 20.9 tt0 -56.07 -47.59 77.69 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 569' ' ' ILE . 10.3 p -67.01 -31.86 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.28 -41.27 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.528 0.204 . . . . 0.0 111.516 -178.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.2 p -72.07 -16.52 62.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 110.083 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -80.81 -13.41 58.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.806 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.774 HG12 ' HD2' ' B' ' 577' ' ' ARG . 5.1 mt -90.69 146.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.497 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -99.11 122.71 51.48 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.225 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' B' ' 570' ' ' LEU . 20.6 Cg_endo -65.4 7.75 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.731 2.287 . . . . 0.0 111.88 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 570' ' ' LEU . 40.1 p -104.64 -1.04 26.92 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.32 -67.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 175.14 168.8 36.19 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.4 OUTLIER -86.35 -10.44 54.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.895 0.347 . . . . 0.0 111.321 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -39.72 73.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.39 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.774 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.41 -37.49 83.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.29 -46.79 85.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.241 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -63.39 -40.21 96.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.129 0.49 . . . . 0.0 109.905 179.455 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 63.7 m -63.33 -41.87 98.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.899 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.434 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.12 -38.96 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.227 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 626' ' ' TYR . 1.9 pt -95.41 5.09 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.615 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.7 42.23 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.743 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -61.7 -49.47 76.34 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.295 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 74.4 -111.0 3.26 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.86 -23.38 66.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.605 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 1.8 m-20 -62.12 -29.25 70.2 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -26.2 68.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.07 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.41 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -64.22 -33.54 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' B' ' 587' ' ' ASP . 1.5 mm? -60.69 -36.69 79.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 57.0 m-85 -68.37 -46.47 69.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -37.11 83.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.59 91.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.826 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.39 -11.54 58.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.322 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.42 13.6 44.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.301 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.6 mt -97.0 92.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.119 0.485 . . . . 0.0 110.58 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.67 -3.6 4.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.379 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.53 171.67 7.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.47 0.652 . . . . 0.0 112.3 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.32 160.97 22.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.713 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.5 -41.49 1.87 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.848 -0.614 . . . . 0.0 113.054 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.39 -43.64 79.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.891 0.476 . . . . 0.0 111.635 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -41.87 94.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.0 OUTLIER -68.4 -40.12 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.301 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' B' ' 604' ' ' ARG . 1.7 ttm105 -64.79 -46.67 81.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 6.7 mm-40 -61.14 -33.33 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.015 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.884 ' HA ' HD11 ' B' ' 612' ' ' ILE . 82.5 t80 -67.24 -39.72 86.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.956 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 607' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 65.1 mt-10 -73.52 -41.08 63.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -36.72 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.687 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 1.8 m-70 -109.43 -58.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 81.13 -19.3 0.44 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.843 0.714 . . . . 0.0 110.061 -178.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 611' ' ' ASP . . . . . 0.665 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 8.7 p-10 -114.88 30.47 7.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.48 0.657 . . . . 0.0 110.036 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.884 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -55.96 -57.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.642 -178.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.3 m-85 -57.53 -37.62 73.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.848 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.17 -38.73 82.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 109.94 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -42.32 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.562 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' B' ' 613' ' ' PHE . 45.0 pt -71.7 -25.2 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.18 31.65 2.8 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 119.944 -1.122 . . . . 0.0 113.979 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 17.1 mm -66.45 145.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.32 120.39 12.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -27.58 67.19 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -19.17 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.659 0.266 . . . . 0.0 111.122 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' B' ' 622' ' ' LYS . 6.6 mtmm -125.83 -8.54 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.518 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -53.29 -44.77 68.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.484 0.714 . . . . 0.0 112.422 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -43.24 93.37 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.084 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.85 -38.44 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.756 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.523 ' CD1' HD12 ' B' ' 582' ' ' ILE . 2.2 m-30 -61.27 -47.76 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.714 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' B' ' 613' ' ' PHE . 27.3 m-85 -64.91 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.74 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.9 ' HG2' HG11 ' B' ' 561' ' ' VAL . 4.3 tp10 -58.89 -49.15 78.85 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.61 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.174 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -49.41 72.81 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.292 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.542 HD12 ' NH2' ' B' ' 635' ' ' ARG . 2.5 mm? -64.55 -43.97 92.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.825 0.345 . . . . 0.0 110.701 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 15.6 m -62.69 -40.84 98.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.129 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.6 OUTLIER -65.35 -41.8 93.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.892 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -60.11 -38.28 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.542 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -63.79 -42.82 97.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.065 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.537 HD11 ' CB ' ' B' ' 553' ' ' ALA . 60.5 mt -61.78 -44.62 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -44.19 81.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.112 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.54 -35.19 65.51 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.829 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.561 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.98 -26.06 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 640' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -66.51 -30.78 71.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 0.0 109.864 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -6.15 40.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.744 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -67.22 128.22 93.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.152 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 6.7 Cg_exo -72.25 -75.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 0.0 111.073 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.007 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.896 ' HB ' HD23 ' A' ' 623' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.253 0.549 . . . . 0.0 109.58 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.32 115.98 31.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.647 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.9 OUTLIER -99.4 160.08 14.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.405 0.621 . . . . 0.0 111.601 -177.546 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.44 129.75 42.08 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.255 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -100.73 129.22 46.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.101 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.64 134.02 49.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.095 0.474 . . . . 0.0 111.899 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.05 96.51 8.53 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 32.2 tp -91.37 142.51 27.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.687 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.83 120.86 32.92 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.7 OUTLIER -118.92 136.97 53.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.76 -177.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -79.8 155.54 27.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -53.96 -37.56 64.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -177.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -80.74 -27.63 36.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.089 0.471 . . . . 0.0 111.494 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 537' ' ' LEU . 83.4 t80 -53.66 -47.68 70.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.678 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.739 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -64.83 -34.43 78.35 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -43.62 83.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.21 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.13 -43.9 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.631 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 642' ' ' LEU . 54.6 t -60.04 -50.28 80.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.955 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -66.99 -32.51 73.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.471 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.609 ' HE2' HG22 ' B' ' 545' ' ' VAL . 3.2 t80 -60.01 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 6.9 mt -72.11 -30.5 65.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.293 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.93 -35.44 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 6.3 mmt85 -64.55 -40.22 95.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.619 ' HA ' HH12 ' A' ' 557' ' ' ARG . 2.8 mm-40 -64.08 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.114 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.09 -26.12 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.537 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.57 ' HE2' HG23 ' A' ' 636' ' ' ILE . 13.1 mttm -78.9 -54.99 5.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.362 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 93.0 t -86.46 125.02 68.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.35 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.91 128.1 25.5 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.789 2.326 . . . . 0.0 112.037 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.619 HH12 ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -154.97 -36.64 0.09 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.7 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -84.77 123.96 31.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -12.21 19.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.819 0.342 . . . . 0.0 111.752 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -89.27 -42.18 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.348 0.594 . . . . 0.0 110.058 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.635 HG11 ' HG2' ' A' ' 628' ' ' GLU . 1.5 p -113.29 119.22 42.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.802 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.64 103.6 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.025 2.483 . . . . 0.0 111.848 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -42.15 6.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.08 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.34 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.6 p -67.01 -30.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.783 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -70.4 -39.47 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.71 -14.43 61.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.306 0.574 . . . . 0.0 110.079 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -16.85 49.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.914 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -89.86 145.55 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.52 . . . . 0.0 111.263 -179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -86.07 126.55 64.98 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.715 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.2 Cg_endo -67.45 13.61 0.16 Allowed 'Trans proline' 0 C--N 1.335 -0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.504 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 80.8 p -99.84 -16.2 18.13 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.839 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -80.25 -39.63 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.29 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 141.94 -137.79 8.18 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.576 HD21 HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -126.29 -5.51 6.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.851 0.326 . . . . 0.0 110.581 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.3 -45.02 76.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.528 -178.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.76 -36.77 81.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.007 0.432 . . . . 0.0 110.238 179.116 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 578' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 575' ' ' LEU . 54.2 t80 -59.57 -44.28 93.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.834 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -66.41 -38.96 88.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.639 178.645 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.44 -38.11 83.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.703 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.15 -42.97 82.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 626' ' ' TYR . 25.8 pt -94.01 8.63 5.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.657 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 63.92 39.76 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.377 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.41 89.55 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.25 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -73.87 -22.12 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 3.1 m-20 -74.16 -25.33 59.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.01 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -26.43 64.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -64.92 -33.81 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.528 -179.639 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 587' ' ' ASP . 1.3 mm? -62.34 -38.07 88.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.533 0.682 . . . . 0.0 109.479 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.3 m-85 -68.11 -42.98 79.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.433 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -56.8 -41.41 77.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.97 93.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.306 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 616' ' ' ILE . 5.2 t30 -81.55 -12.71 58.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.09 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.85 13.97 53.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.321 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.576 HG22 HD21 ' A' ' 575' ' ' LEU . 6.6 mt -94.67 107.79 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -165.4 20.03 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.898 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.63 173.04 9.26 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.588 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.06 128.82 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.871 -179.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.5 -31.85 3.47 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.568 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.62 96.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.181 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -66.41 -39.24 88.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.013 0.435 . . . . 0.0 110.565 178.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.441 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.7 mt -67.8 -40.7 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.91 -44.82 95.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.004 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -61.17 -36.27 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.297 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.686 ' HA ' HD11 ' A' ' 612' ' ' ILE . 20.6 t80 -65.57 -46.81 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.48 -33.63 73.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -75.03 -27.78 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' ' 610' ' ' ASN . 5.3 m-70 -120.82 -132.42 0.3 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.954 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 1.9 p30 168.63 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -110.14 29.26 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.177 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -53.19 -56.12 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.388 -178.742 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -59.34 -40.18 85.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.122 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.67 -36.94 83.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.282 0.563 . . . . 0.0 110.148 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.38 76.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.631 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.1 pt -73.5 -22.39 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.33 31.47 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 119.884 -1.15 . . . . 0.0 113.632 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 591' ' ' PHE . 19.0 mm -66.94 147.54 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.26 120.44 11.56 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.307 0.575 . . . . 0.0 110.124 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -66.35 -31.39 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.63 -177.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -64.79 -15.44 61.7 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.112 -0.368 . . . . 0.0 111.777 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -129.64 2.95 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.896 HD23 ' HB ' ' A' ' 528' ' ' THR . 11.2 tp -53.17 -37.26 61.74 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.144 0.578 . . . . 0.0 112.436 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.37 91.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.122 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -35.97 79.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-85 -62.42 -46.84 86.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.783 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.84 -34.03 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.617 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.635 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -61.87 -47.3 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.531 . . . . 0.0 110.359 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.88 78.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.669 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.87 -49.32 78.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.405 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -64.95 -43.34 93.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -58.59 -43.83 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.372 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.783 ' HD1' HG13 ' A' ' 566' ' ' VAL . 19.0 t80 -61.98 -46.18 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.809 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -63.35 -38.26 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -45.24 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 110.348 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.57 HG23 ' HE2' ' A' ' 554' ' ' LYS . 24.1 mt -63.18 -46.4 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.71 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -43.78 81.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.409 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -35.48 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.619 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -69.19 -24.96 64.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.348 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -33.57 75.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.9 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -95.85 -5.81 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.269 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.739 ' HG ' HG22 ' A' ' 543' ' ' THR . 5.7 tp -71.65 128.16 90.08 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.955 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -91.49 61.01 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 123.155 2.57 . . . . 0.0 112.234 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.491 ' HG2' ' HB ' ' A' ' 543' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.352 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 528' ' ' THR . . . . . 0.467 ' HB ' ' H ' ' B' ' 529' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.809 0.338 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 529' ' ' ASN . . . . . 0.467 ' H ' ' HB ' ' B' ' 528' ' ' THR . 15.3 p-10 -161.3 -174.33 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.825 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.409 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.1 OUTLIER -108.59 151.15 26.51 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.091 -179.296 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.2 152.97 44.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.362 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.423 ' HE2' HD21 ' B' ' 631' ' ' LEU . 26.2 m-85 -106.15 136.39 45.93 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.736 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -130.72 143.03 50.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.422 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.82 134.78 34.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.885 0.374 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.1 tp -119.71 135.93 54.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.53 119.9 32.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.082 0.467 . . . . 0.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -122.17 142.71 50.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.786 -179.64 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 155.56 26.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.647 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -56.97 -40.96 77.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.92 70.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.436 ' O ' HG23 ' B' ' 545' ' ' VAL . 65.1 mm-40 -78.74 -29.24 45.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.8 t80 -56.05 -49.64 73.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.91 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 543' ' ' THR . . . . . 1.035 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.08 -35.21 74.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -67.87 -41.27 83.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.609 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.7 t -69.24 -43.59 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.532 HG22 ' NH1' ' B' ' 635' ' ' ARG . 57.3 t -59.73 -50.82 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.975 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.754 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -62.26 -38.19 88.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.7 179.62 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -58.36 -47.71 82.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -72.31 -33.02 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.656 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.9 mmt85 -64.13 -45.42 88.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -67.81 -33.15 74.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.312 0.577 . . . . 0.0 110.402 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.22 -38.99 50.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.84 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 51.5 mttt -74.1 -52.22 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.28 111.38 51.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 1.02 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 84.9 Cg_exo -37.41 125.43 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.639 2.893 . . . . 0.0 114.207 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.59 10.02 0.94 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.909 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -135.5 124.42 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.062 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.75 -20.28 16.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -84.45 -40.15 18.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 0.0 110.058 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.5 p -111.11 124.02 33.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.669 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.867 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 36.4 Cg_exo -57.73 108.38 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.16 2.573 . . . . 0.0 112.556 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.76 -43.74 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.789 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 1.02 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 0.9 OUTLIER -56.1 -50.54 70.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.111 -178.259 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -68.99 -29.62 43.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.813 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -70.16 -40.82 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.382 -179.025 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.448 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 0.1 OUTLIER -72.9 -14.92 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.384 0.611 . . . . 0.0 110.249 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -18.84 43.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.895 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 566' ' ' VAL . 23.4 mt -76.07 135.85 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.286 0.565 . . . . 0.0 111.678 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -86.97 119.81 71.25 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.3 Cg_endo -67.79 23.34 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.195 0 C-N-CA 123.038 2.492 . . . . 0.0 112.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 570' ' ' LEU . 54.6 p -109.37 -16.21 14.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.952 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.45 -51.87 7.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.992 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 149.12 -139.07 7.24 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -116.45 -7.02 11.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.833 0.317 . . . . 0.0 110.834 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -45.97 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.002 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -36.89 85.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.69 0.281 . . . . 0.0 110.251 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.41 -42.27 98.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.721 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -66.78 -45.53 78.19 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.39 -38.53 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.323 0.582 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.92 -46.07 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.884 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.867 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 8.8 pt -89.38 7.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 63.13 39.27 10.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.648 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -100.43 45.95 0.97 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.684 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.66 59.66 2.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.914 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -170.4 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.629 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.34 -22.23 60.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.809 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.523 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.33 -25.49 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.708 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' B' ' 590' ' ' LEU . 0.7 OUTLIER -60.71 -33.61 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.159 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 589' ' ' VAL . 1.3 mm? -66.07 -39.41 90.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.788 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' B' ' 618' ' ' ILE . 82.6 m-85 -67.46 -43.9 79.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.446 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -37.41 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.15 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.59 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.349 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -79.48 -12.01 59.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.126 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.02 19.93 34.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.388 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' B' ' 575' ' ' LEU . 6.4 mt -101.15 94.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.564 0.221 . . . . 0.0 111.293 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.74 8.96 2.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 167.39 10.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.388 0.613 . . . . 0.0 112.219 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.49 144.47 29.53 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.957 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.47 -33.63 2.52 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.518 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.91 -41.44 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.86 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.62 -40.11 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.023 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.16 94.56 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 0.3 OUTLIER -68.19 -33.7 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.773 ' HA ' HD11 ' B' ' 612' ' ' ILE . 55.3 t80 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.249 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -40.85 95.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -77.72 -15.26 59.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.649 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.473 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 6.5 m-70 -130.81 -136.97 0.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 111.642 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.473 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 6.1 p30 171.27 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -111.13 27.58 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.885 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -53.54 -55.78 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.164 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -59.14 -40.05 84.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.118 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.39 88.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.084 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -41.95 95.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.41 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 46.1 pt -72.89 -22.23 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.7 28.52 3.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.21 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.9 mm -67.18 146.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 117.217 0.508 . . . . 0.0 110.0 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.21 121.5 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.609 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -60.26 -30.47 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -16.87 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.322 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 22.5 mtpt -122.45 -6.88 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.857 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 16.3 tp -52.91 -41.96 64.91 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -45.63 90.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -36.22 83.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.48 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 1.9 m-30 -63.26 -47.61 81.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.705 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.07 -35.44 81.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.343 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.556 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.1 OUTLIER -61.8 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.814 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.017 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -57.93 -49.02 78.19 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.539 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' B' ' 532' ' ' PHE . 1.0 OUTLIER -63.19 -44.25 95.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.412 ' O ' HG13 ' B' ' 636' ' ' ILE . 15.5 m -60.34 -46.93 88.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.769 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.813 ' HD1' HG13 ' B' ' 566' ' ' VAL . 8.6 t80 -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.42 -37.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.722 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.742 ' NE ' ' HA ' ' B' ' 635' ' ' ARG . 4.0 mmp_? -73.08 -44.47 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.527 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' B' ' 553' ' ' ALA . 56.6 mt -60.12 -46.72 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -46.96 81.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.472 -178.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.75 -35.5 70.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.639 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.22 -26.98 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.95 0.405 . . . . 0.0 111.153 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 640' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 24.5 mtt -69.76 -33.91 73.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.275 0.56 . . . . 0.0 109.889 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -6.01 41.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.113 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 1.035 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.3 tp -62.24 127.37 89.54 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.907 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.16 44.36 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.123 2.549 . . . . 0.0 110.691 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.253 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -69.24 -70.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.958 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 627' ' ' TYR . 0.4 OUTLIER -149.36 44.2 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 111.334 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.37 140.1 36.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 36.7 m-85 -88.71 134.35 33.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.108 0.48 . . . . 0.0 111.191 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 533' ' ' ARG . 0.0 OUTLIER -123.42 128.44 49.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.818 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 135.0 49.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.14 0.495 . . . . 0.0 111.312 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.2 tp -125.39 150.54 47.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.516 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.182 0.515 . . . . 0.0 110.276 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.17 140.74 50.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.203 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.458 ' HB2' ' OH ' ' B' ' 530' ' ' TYR . 0.1 OUTLIER -79.95 158.31 26.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.84 87.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.43 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 545' ' ' VAL . 45.8 mt-10 -72.82 -30.5 64.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 546' ' ' VAL . 62.6 t80 -56.55 -51.18 69.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.908 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.0 OUTLIER -67.48 -34.31 76.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.982 0.42 . . . . 0.0 110.91 -179.426 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.79 89.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.064 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' B' ' 548' ' ' PHE . 93.9 t -71.45 -43.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.795 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.6 t -59.78 -49.38 84.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.064 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.59 -33.84 74.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.548 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.0 t80 -60.12 -49.93 75.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.766 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 14.3 mt -71.47 -27.76 63.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.44 76.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.109 0.48 . . . . 0.0 109.867 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 19.9 mmt180 -67.71 -41.9 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.975 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.42 -32.7 74.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.529 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.601 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -78.66 -25.71 44.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.891 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -80.03 -45.25 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.132 0.491 . . . . 0.0 111.586 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.525 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 2.5 m -103.51 162.1 21.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.378 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 10.4 Cg_endo -58.52 127.08 23.29 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 108.902 -1.23 . . . . 0.0 108.902 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 -20.47 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.82 157.18 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.514 ' CE3' HG23 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -116.89 28.75 8.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.272 -178.042 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.514 HG23 ' CE3' ' A' ' 560' ' ' TRP . 2.0 t -121.54 122.95 27.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.457 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 2.7 Cg_exo -75.99 79.1 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.052 2.502 . . . . 0.0 111.479 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.601 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.6 OUTLIER -66.85 -34.27 77.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.992 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -49.92 73.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.676 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.3 p -68.28 -32.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.626 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.827 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.54 -41.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -71.95 -19.86 61.83 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.428 0.632 . . . . 0.0 109.589 179.154 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.79 -20.09 47.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.589 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.8 mt -74.48 137.6 22.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.18 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -91.87 117.88 67.97 Favored Pre-proline 0 C--N 1.314 -0.978 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 570' ' ' LEU . 55.5 Cg_endo -69.15 22.55 0.15 Allowed 'Trans proline' 0 N--CA 1.471 0.166 0 C-N-CA 123.088 2.525 . . . . 0.0 111.915 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 50.1 p -109.68 -13.27 14.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.221 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -30.58 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.82 -148.31 19.96 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.51 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -117.86 -5.01 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 110.384 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -43.24 76.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.431 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.776 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.98 -37.39 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.96 -43.61 98.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.115 0.484 . . . . 0.0 109.847 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.2 m -64.02 -39.59 94.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.705 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -57.46 -41.62 80.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.599 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.7 pt -91.81 5.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.03 39.17 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.646 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -59.09 -65.4 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.655 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 104.78 -108.8 3.17 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.863 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.09 1.96 54.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.87 -24.31 67.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.407 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -26.0 64.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.275 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.12 -33.72 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.032 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.17 -39.51 89.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.558 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.5 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.5 m-85 -68.04 -44.2 76.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.356 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.9 t30 -60.0 -38.42 82.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.211 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.67 88.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.126 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -83.9 -12.0 56.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.243 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 96.13 4.59 59.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.996 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.8 mt -85.42 81.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 0.4 OUTLIER -134.33 30.17 3.58 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.113 0.482 . . . . 0.0 110.253 178.782 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.82 170.77 13.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.524 0.678 . . . . 0.0 112.597 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -83.47 135.93 34.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.21 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.6 -25.05 4.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.714 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.93 93.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.677 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.635 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.08 -41.44 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.183 0.516 . . . . 0.0 110.036 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' ARG . . . . . 0.431 ' HG3' ' HD2' ' A' ' 608' ' ' LYS . 0.2 OUTLIER -63.26 -46.33 87.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.517 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 13.0 mm-40 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.851 0.358 . . . . 0.0 110.204 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.62 ' HA ' HD11 ' A' ' 612' ' ' ILE . 9.5 t80 -66.26 -38.8 88.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.016 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.3 -42.42 99.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' LYS . . . . . 0.431 ' HD2' ' HG3' ' A' ' 604' ' ' ARG . 0.1 OUTLIER -78.61 -28.07 45.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.778 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 11.1 m-70 -116.28 -144.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.663 0.744 . . . . 0.0 112.948 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -176.6 -29.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.324 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -105.43 33.1 3.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.174 -1.375 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -56.38 -63.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.757 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -58.41 -39.61 80.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -41.93 99.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.219 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.9 pt -67.49 -24.31 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.68 29.11 3.47 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.605 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' A' ' 591' ' ' PHE . 20.2 mm -66.48 146.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.88 132.73 50.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.566 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -67.86 -28.47 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.761 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -12.41 60.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.198 0.523 . . . . 0.0 110.634 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 29.4 mtpt -120.82 -4.44 9.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.275 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.0 tp -53.87 -45.06 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.345 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -47.68 83.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.614 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -64.28 -37.51 87.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.0 m-85 -64.8 -49.91 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' TYR . . . . . 0.442 ' HB3' ' CD1' ' A' ' 530' ' ' TYR . 10.2 m-85 -65.7 -32.37 73.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.22 -51.14 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.436 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.11 78.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.384 0.611 . . . . 0.0 110.932 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.465 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -57.37 -48.77 78.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.108 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 631' ' ' LEU . 0.5 OUTLIER -67.16 -38.57 85.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.05 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.03 99.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 110.706 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -60.44 -46.08 91.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.26 -37.23 84.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.766 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -59.27 -45.42 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.518 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 567' ' ' SER . 8.3 mt -64.94 -48.95 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.805 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -58.02 -47.22 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.697 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' GLU . . . . . 0.597 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.1 OUTLIER -68.09 -35.76 78.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.652 0.263 . . . . 0.0 111.092 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 110.82 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.71 -30.13 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.37 0.605 . . . . 0.0 109.696 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -5.69 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.759 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.908 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.6 tp -61.8 130.41 92.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -78.44 37.86 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.976 2.451 . . . . 0.0 112.043 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -59.98 -54.57 44.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.308 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.458 ' OH ' ' HB2' ' A' ' 538' ' ' SER . 4.1 t80 -151.71 111.82 4.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.081 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.9 m -94.04 131.55 39.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.57 145.08 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.261 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -131.89 126.67 34.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.145 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.51 34.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.017 0.437 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -113.29 143.69 44.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 532' ' ' PHE . 0.9 OUTLIER -92.36 128.44 38.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.542 HD11 HG21 ' B' ' 545' ' ' VAL . 0.2 OUTLIER -119.83 125.54 48.8 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.253 -178.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -75.8 157.05 33.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.067 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -50.15 62.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.59 71.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.3 -28.88 65.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 546' ' ' VAL . 89.3 t80 -55.36 -51.39 66.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.259 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.768 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.69 -36.96 80.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.996 0.427 . . . . 0.0 110.899 -178.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -67.61 -44.69 77.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.542 HG21 HD11 ' B' ' 537' ' ' LEU . 54.3 t -69.78 -43.34 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.383 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.479 HG11 HD13 ' B' ' 642' ' ' LEU . 55.3 t -59.91 -50.34 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -67.3 -35.95 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.146 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.567 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.3 t80 -58.84 -50.89 72.3 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.644 0.259 . . . . 0.0 110.959 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 9.4 mt -71.84 -28.26 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.629 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 12.5 mmt85 -67.1 -42.91 83.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.697 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.9 -39.14 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.741 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.31 -23.51 51.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.358 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 7.3 mttt -77.04 -24.98 52.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.407 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 6.7 m -115.15 158.93 39.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -73.35 124.27 9.31 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 N-CA-C 108.806 -1.267 . . . . 0.0 108.806 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 16.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.466 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -112.15 149.95 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.486 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' B' ' 561' ' ' VAL . 0.0 OUTLIER -120.6 7.57 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -178.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' B' ' 560' ' ' TRP . 3.0 t -96.35 118.17 65.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 562' ' ' PRO . . . . . 0.703 ' HB2' HG12 ' B' ' 565' ' ' VAL . 56.6 Cg_endo -70.16 83.28 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.16 2.573 . . . . 0.0 111.165 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 563' ' ' THR . . . . . 0.543 HG22 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -68.93 -44.81 72.32 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.743 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -57.84 -50.22 74.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.703 HG12 ' HB2' ' B' ' 562' ' ' PRO . 7.5 p -69.26 -33.86 60.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.485 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.792 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.45 -41.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.3 p -74.18 -14.2 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.492 0.663 . . . . 0.0 110.166 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.68 -15.61 44.7 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.208 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 565' ' ' VAL . 5.8 mt -80.3 140.73 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.3 OUTLIER -92.18 121.9 65.83 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.113 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' B' ' 570' ' ' LEU . 61.6 Cg_endo -70.97 21.7 0.21 Allowed 'Trans proline' 0 C--O 1.224 -0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.598 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.456 ' H ' ' C ' ' B' ' 570' ' ' LEU . 46.3 p -108.12 -17.06 14.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.943 0.401 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.29 -39.45 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 152.01 -152.12 23.91 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.565 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.28 -12.65 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.917 0.358 . . . . 0.0 110.483 179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.45 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 577' ' ' ARG . . . . . 0.51 HH11 HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.63 -36.74 83.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.69 0.281 . . . . 0.0 110.429 178.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.56 -40.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -43.85 96.02 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.6 m -61.15 -41.39 96.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.878 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.5 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.5 -46.27 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.499 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' B' ' 584' ' ' ALA . 4.5 pt -85.42 4.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.099 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.92 38.06 24.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.256 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.439 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -63.28 -62.27 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.41 -110.25 2.68 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.381 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.49 14.81 26.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -23.92 67.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.212 0.529 . . . . 0.0 109.856 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.532 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.18 -25.25 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.518 178.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.463 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.35 -33.83 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.116 179.483 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.463 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -66.21 -38.97 89.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 91.7 m-85 -67.88 -43.24 79.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.258 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.49 80.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.239 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.42 87.37 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.082 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.489 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.9 t30 -80.92 -12.49 59.39 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.076 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.18 15.82 46.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.836 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.7 mt -98.08 95.73 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 111.086 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -148.25 15.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.09 174.01 10.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.527 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -79.63 147.76 31.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.373 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.26 -32.66 2.77 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.973 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -45.04 95.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.74 95.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.541 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.441 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 2.1 mt -68.29 -40.09 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.024 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -60.28 -46.83 88.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.422 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -64.34 -34.86 79.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.639 ' HA ' HD11 ' B' ' 612' ' ' ILE . 80.6 t80 -66.6 -38.81 87.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.387 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 607' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 54.5 mt-10 -66.98 -42.47 85.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.702 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -77.28 -26.91 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.149 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 21.7 m-70 -126.25 -138.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.362 0.601 . . . . 0.0 112.01 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.421 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 13.0 p30 174.27 -21.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.461 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -103.44 23.89 11.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.212 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -52.9 -57.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.184 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.27 -40.67 82.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.761 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.8 OUTLIER -66.24 -38.97 89.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.29 0.567 . . . . 0.0 110.219 178.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -66.26 -42.78 88.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.566 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.2 pt -70.96 -23.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 617' ' ' GLY . . . . . 0.401 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.1 28.39 3.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.027 -1.083 . . . . 0.0 113.763 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' B' ' 591' ' ' PHE . 19.4 mm -65.9 146.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 6.2 t70 -64.76 127.81 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.495 . . . . 0.0 110.96 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -58.8 -32.74 69.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.799 -178.599 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -6.89 49.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.819 0.342 . . . . 0.0 111.665 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.571 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 25.6 mtpt -122.66 -6.97 8.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' B' ' 614' ' ' GLU . 8.0 tp -54.52 -46.01 73.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -48.15 83.08 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.494 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.15 -35.87 82.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.089 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.571 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 3.3 m-30 -66.55 -50.14 64.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 627' ' ' TYR . . . . . 0.42 ' CE2' ' HG ' ' B' ' 623' ' ' LEU . 8.9 m-85 -63.89 -33.94 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.764 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' B' ' 561' ' ' VAL . 3.3 tp10 -61.25 -51.53 68.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -36.01 79.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.692 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.59 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -57.02 -48.74 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.823 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' B' ' 631' ' ' LEU . 1.7 mm? -64.96 -44.48 89.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.042 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.64 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 4.5 m -62.34 -41.77 98.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.307 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.792 ' HD1' HG13 ' B' ' 566' ' ' VAL . 27.8 t80 -62.27 -44.63 96.1 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.004 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.08 -40.11 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.862 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.3 OUTLIER -60.2 -44.94 94.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 633' ' ' PHE . 22.4 mt -59.92 -47.02 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 109.93 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.532 ' OE1' ' HG3' ' B' ' 571' ' ' PRO . 20.4 tp60 -59.95 -42.83 94.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -36.35 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.346 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.677 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.11 -24.52 67.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.47 -32.92 74.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 0.0 109.525 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -10.29 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.079 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.768 ' HG ' HG22 ' B' ' 543' ' ' THR . 5.1 tp -71.2 128.29 90.51 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.388 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.27 58.83 7.18 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.761 2.307 . . . . 0.0 111.292 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.103 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' THR . . . . . 0.4 HG22 HD22 ' A' ' 623' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.917 0.389 . . . . 0.0 111.277 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -121.11 143.39 49.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.056 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 0.2 OUTLIER -88.71 -172.04 3.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.925 0.393 . . . . 0.0 110.494 -179.707 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 129.25 35.43 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.286 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.34 129.53 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.533 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' ARG . . . . . 0.451 HH11 ' HB3' ' A' ' 533' ' ' ARG . 0.6 OUTLIER -121.7 126.42 48.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.051 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.61 111.57 16.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.372 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' B' ' 542' ' ' TYR . 12.7 tp -101.88 134.87 44.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' THR . . . . . 0.474 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -92.36 120.66 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.87 0.367 . . . . 0.0 110.543 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.3 OUTLIER -121.34 143.99 48.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.962 -179.295 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' B' ' 532' ' ' PHE . 0.1 OUTLIER -81.19 155.55 26.1 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -39.16 81.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.8 76.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.25 -28.41 38.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.744 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.569 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.6 t80 -54.67 -46.79 74.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.857 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' THR . . . . . 1.001 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.34 -35.68 81.18 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.03 0.443 . . . . 0.0 111.72 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -42.95 94.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.613 HG22 ' HE2' ' B' ' 548' ' ' PHE . 38.7 t -71.64 -42.4 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.795 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 642' ' ' LEU . 43.5 t -60.6 -49.34 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.109 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 1.2 mm-40 -67.14 -33.57 75.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.184 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -60.11 -49.11 78.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.237 0.542 . . . . 0.0 110.14 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.5 mt -72.06 -26.33 62.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.638 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.37 80.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.7 mmt180 -63.27 -45.28 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.491 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.27 -21.16 50.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -83.54 -42.44 16.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.482 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.13 127.47 53.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.476 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 15.4 Cg_endo -56.83 127.33 25.4 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.035 1.823 . . . . 0.0 112.161 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -164.67 21.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.492 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 558' ' ' TYR . . . . . 0.41 ' HB3' HG13 ' A' ' 561' ' ' VAL . 6.1 m-30 -110.57 161.7 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.988 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.421 ' HB ' ' H ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -65.73 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.421 ' H ' ' HB ' ' A' ' 559' ' ' THR . 0.0 OUTLIER -70.83 -39.89 72.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 629' ' ' ALA . 1.4 p -76.49 123.52 87.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.824 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.669 ' HB2' HG12 ' A' ' 565' ' ' VAL . 2.9 Cg_exo -75.82 110.56 3.11 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.022 2.481 . . . . 0.0 110.575 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -42.34 70.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.721 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 0.4 OUTLIER -60.37 -47.09 87.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.669 HG12 ' HB2' ' A' ' 562' ' ' PRO . 5.3 p -65.06 -31.6 54.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.66 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.68 -41.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.541 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.97 -14.75 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.339 0.59 . . . . 0.0 109.939 179.225 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.52 -19.24 50.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.233 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 577' ' ' ARG . 20.4 mt -74.16 141.37 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.154 0.502 . . . . 0.0 110.643 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -90.63 117.0 67.65 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.455 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.625 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 38.1 Cg_endo -68.02 20.44 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.056 2.504 . . . . 0.0 112.056 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 570' ' ' LEU . 77.8 p -108.83 -6.64 15.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.633 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.96 -75.2 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 177.8 -148.19 8.52 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.777 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -111.61 2.88 17.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.956 0.407 . . . . 0.0 110.423 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.517 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.55 -45.71 81.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.526 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.93 -36.91 80.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 178.353 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.5 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.186 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -40.24 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.401 0.62 . . . . 0.0 109.607 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 68.7 m -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.775 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.0 84.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.153 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 584' ' ' ALA . 6.8 pt -88.83 3.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.938 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.35 40.69 24.12 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.741 0.651 . . . . 0.0 109.344 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -61.8 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.97 -179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.28 -111.81 3.03 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.381 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.55 19.02 10.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.58 -23.27 58.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.159 0.504 . . . . 0.0 110.345 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.54 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.82 -26.88 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.986 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.17 -33.38 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.505 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -67.78 -37.78 82.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.195 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' A' ' 618' ' ' ILE . 95.7 m-85 -67.84 -41.85 82.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.632 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.9 t-20 -60.29 -40.15 89.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.007 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.09 87.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.978 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.567 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.9 t30 -79.69 -11.26 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.247 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.82 19.16 48.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.106 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 575' ' ' LEU . 9.3 mt -87.98 -105.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.799 -0.2 . . . . 0.0 110.657 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.615 ' HA ' HD11 ' A' ' 575' ' ' LEU . 25.8 p90 55.81 -17.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.2 OUTLIER -111.31 173.85 6.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.074 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.412 ' HA ' ' SD ' ' A' ' 602' ' ' MET . 0.0 OUTLIER -79.33 159.86 27.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.11 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 604' ' ' ARG . . . 81.41 -47.96 3.72 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.844 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 596' ' ' ILE . 0.4 OUTLIER -60.93 -42.2 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.471 0.308 . . . . 0.0 111.427 -179.323 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.23 -42.95 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.624 0.25 . . . . 0.0 110.976 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.463 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.8 OUTLIER -68.72 -42.26 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.124 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 604' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -61.53 -44.23 97.42 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.341 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 605' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 608' ' ' LYS . 0.5 OUTLIER -65.32 -33.81 76.86 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.772 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.547 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.8 t80 -67.91 -36.74 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.668 0.747 . . . . 0.0 109.88 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.58 -45.14 91.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -78.53 -37.35 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.635 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 78.1 m-70 -129.73 141.79 50.82 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.55 12.67 21.33 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -123.68 18.31 9.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.769 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.848 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.3 OUTLIER -50.68 -61.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -58.29 -35.33 71.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 0.0 111.357 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.74 -46.43 72.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.032 0.444 . . . . 0.0 111.06 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 612' ' ' ILE . 5.0 ptm85 -71.26 -31.27 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.476 HG22 ' HB2' ' A' ' 594' ' ' ASN . 35.1 pt -75.33 -25.3 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.282 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.48 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 106.89 34.31 3.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.12 -1.038 . . . . 0.0 114.107 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -65.7 149.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.09 121.0 11.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.316 0.579 . . . . 0.0 109.576 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -34.37 71.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -12.15 60.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.921 0.391 . . . . 0.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 21.7 mtpt -118.45 -9.41 10.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.578 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.4 HD22 HG22 ' A' ' 528' ' ' THR . 13.2 tp -52.87 -40.97 63.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -46.96 86.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.012 0.434 . . . . 0.0 111.876 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.6 79.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.519 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.6 m-85 -64.58 -48.69 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.973 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.95 -33.39 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.532 ' HG2' HG11 ' A' ' 561' ' ' VAL . 2.8 tp10 -61.65 -49.16 77.66 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' ALA . . . . . 0.739 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -67.62 -35.66 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.82 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.848 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.46 -48.37 80.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.256 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 1.1 mm? -60.16 -38.45 83.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 635' ' ' ARG . 9.1 m -63.04 -46.05 89.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.335 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.66 ' HD1' HG13 ' A' ' 566' ' ' VAL . 2.1 t80 -62.98 -38.95 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.35 -40.78 91.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.8 mtp180 -66.95 -46.05 75.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 567' ' ' SER . 31.9 mt -65.94 -45.87 89.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.357 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -41.88 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.616 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 638' ' ' GLU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.0 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.143 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.746 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.79 -23.05 67.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.127 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 7.5 mtt -66.41 -39.81 89.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.62 -6.28 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.602 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 1.001 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -65.23 125.1 88.69 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.858 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.78 64.56 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.826 2.35 . . . . 0.0 110.985 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.945 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.229 0.537 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -157.37 157.5 34.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -149.2 128.44 12.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.765 0.317 . . . . 0.0 111.21 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 138.18 49.07 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.455 ' HD1' ' HA ' ' A' ' 538' ' ' SER . 14.9 m-85 -85.64 141.14 30.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.323 0.582 . . . . 0.0 111.257 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 533' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -122.34 149.83 43.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.71 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 534' ' ' THR . . . . . 0.474 HG23 HG23 ' A' ' 536' ' ' THR . 0.1 OUTLIER -95.61 138.61 33.04 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 16.9 tp -124.91 150.69 46.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.728 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 120.05 31.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.171 0.51 . . . . 0.0 109.804 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -120.68 136.25 54.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.233 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -81.87 156.8 24.64 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.622 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -43.81 64.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.59 74.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -79.44 -28.93 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.502 ' CE1' HD13 ' A' ' 535' ' ' LEU . 82.8 t80 -56.32 -51.32 68.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.356 -178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.869 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.9 OUTLIER -63.01 -35.17 79.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.26 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -44.3 87.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.272 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.13 -44.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.215 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.0 t -59.7 -49.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.5 mm-40 -68.8 -36.44 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.613 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.79 -48.1 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.129 0.49 . . . . 0.0 110.005 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.588 ' HB3' ' NE ' ' B' ' 635' ' ' ARG . 19.8 mt -72.05 -26.77 62.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.181 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.47 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.1 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 8.2 mmt85 -65.45 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.774 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.1 -29.53 54.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.801 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -52.22 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.594 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -81.29 125.57 78.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.078 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.4 127.2 23.04 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.03 1.82 . . . . 0.0 111.889 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.72 19.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -98.61 161.43 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.123 0.487 . . . . 0.0 111.813 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -73.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.636 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.62 51.55 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 126.27 7.77 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.63 70.26 6.97 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.395 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 563' ' ' THR . . . . . 0.408 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -73.0 -20.65 60.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.159 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -48.03 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 569' ' ' ILE . 13.7 p -75.26 -30.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.0 109.946 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.7 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.1 t -65.83 -39.18 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.639 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.434 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -72.72 -14.34 61.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.234 0.54 . . . . 0.0 110.191 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.29 -11.07 47.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.832 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.586 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 49.6 mt -78.49 145.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.193 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' B' ' 573' ' ' GLU . 0.8 OUTLIER -101.0 120.26 55.83 Favored Pre-proline 0 N--CA 1.436 -1.139 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.161 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' B' ' 599' ' ' MET . 11.3 Cg_endo -56.24 -10.43 4.6 Favored 'Trans proline' 0 C--N 1.333 -0.264 0 C-N-CA 122.49 2.126 . . . . 0.0 112.495 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 30.1 p -79.87 -17.39 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.448 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 573' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 1.1 mt-10 -86.96 -1.16 57.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 91.43 166.84 40.49 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.133 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.475 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -72.22 -10.45 59.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -39.41 73.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.613 0.244 . . . . 0.0 110.946 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.172 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -64.73 -41.58 95.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.273 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.3 OUTLIER -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.529 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 73.9 m -61.39 -42.42 98.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.574 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.07 -43.64 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.827 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.6 pt -88.19 5.86 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 61.63 35.57 17.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.052 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -68.81 -55.61 10.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.67 -95.11 1.1 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.051 -0.595 . . . . 0.0 114.245 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -77.55 -13.29 59.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.737 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 2.6 m-20 -62.75 -25.61 68.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.724 0.297 . . . . 0.0 111.195 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.446 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.8 OUTLIER -60.4 -25.37 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 110.752 178.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -60.98 -33.3 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.47 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.57 -38.17 90.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.615 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' B' ' 618' ' ' ILE . 73.5 m-85 -68.49 -41.65 79.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.814 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -61.64 -37.22 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.829 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.79 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.145 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' B' ' 596' ' ' ILE . 8.2 t30 -79.43 -13.16 59.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.976 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.36 22.5 37.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.06 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.528 HG13 ' HB3' ' B' ' 594' ' ' ASN . 13.0 mt -85.58 -101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 597' ' ' TYR . . . . . 0.43 ' H ' ' HB ' ' B' ' 596' ' ' ILE . 21.4 p90 50.94 -3.32 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.07 173.75 6.23 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 9.6 ttt -80.85 135.67 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.93 -37.3 3.37 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.962 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 601' ' ' ASP . . . . . 0.411 ' HB3' HG23 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -58.85 -45.2 90.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -179.514 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.458 ' HB3' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.73 -41.34 96.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.476 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -43.48 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.764 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.39 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.406 ' HB3' HG21 ' B' ' 612' ' ' ILE . 43.1 mm-40 -63.1 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.977 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.678 ' HA ' HD11 ' B' ' 612' ' ' ILE . 2.1 t80 -66.1 -38.16 87.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.586 0.708 . . . . 0.0 110.217 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.27 -41.12 97.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -78.3 -38.75 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.915 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -131.25 139.46 49.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.414 ' HB2' ' CD2' ' B' ' 532' ' ' PHE . 2.2 p-10 -91.67 -6.67 51.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.965 0.412 . . . . 0.0 111.081 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 611' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 23.7 p-10 -125.77 42.54 3.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.125 0.488 . . . . 0.0 111.663 -178.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.799 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -57.04 -56.75 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.704 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.9 m-85 -58.2 -38.9 77.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.616 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -67.76 -36.98 81.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.265 0.555 . . . . 0.0 110.132 178.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 615' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.09 -42.68 75.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.507 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' B' ' 594' ' ' ASN . 48.5 pt -72.84 -22.41 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.32 4.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.001 -1.095 . . . . 0.0 114.021 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.0 mm -66.69 146.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.21 0.505 . . . . 0.0 109.757 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -64.66 126.47 28.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.027 0.442 . . . . 0.0 110.878 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -38.93 80.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.818 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -5.99 20.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 13.1 mtpt -126.35 -3.02 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.922 0.392 . . . . 0.0 110.845 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' B' ' 614' ' ' GLU . 3.7 tp -54.3 -44.63 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -48.15 82.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.456 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.11 -37.36 87.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.669 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.3 m-30 -65.76 -48.83 70.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.08 -37.36 87.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.756 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -48.53 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.38 83.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.496 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -56.61 -50.0 73.27 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.2 179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 1.1 mm? -64.13 -44.17 93.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.955 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 632' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 49.3 m -59.14 -44.33 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.165 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.7 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.7 t80 -61.36 -45.33 94.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.07 -42.23 94.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.588 ' NE ' ' HB3' ' B' ' 549' ' ' LEU . 2.7 mtp180 -60.84 -45.14 95.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' B' ' 567' ' ' SER . 70.5 mt -65.5 -44.61 94.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -41.42 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.01 -34.85 66.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.753 0.311 . . . . 0.0 110.327 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.93 -26.43 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.73 -38.5 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.599 0.714 . . . . 0.0 109.524 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -9.33 54.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.243 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -64.55 120.89 69.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.122 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 9.2 Cg_endo -86.58 66.24 4.74 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.191 2.594 . . . . 0.0 110.739 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' B' ' 644' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.534 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.321 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.2 -121.85 0.05 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.752 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.2 p90 -161.55 170.8 19.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.644 0.259 . . . . 0.0 110.307 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.38 135.44 33.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.216 0.531 . . . . 0.0 112.332 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 532' ' ' PHE . . . . . 0.422 ' HE2' HD21 ' A' ' 631' ' ' LEU . 3.8 m-85 -92.39 141.67 28.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.419 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -128.34 148.34 50.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.964 0.411 . . . . 0.0 111.44 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.48 98.38 7.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.795 178.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -88.03 142.62 27.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.651 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.54 121.6 33.37 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.4 mm? -120.26 133.13 55.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.509 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 87.7 p -84.81 156.4 21.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.39 -29.9 59.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.011 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.07 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -83.58 -28.16 28.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.339 . . . . 0.0 110.742 179.301 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' B' ' 535' ' ' LEU . 77.6 t80 -52.73 -48.43 66.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.704 -177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.761 HG22 ' HG ' ' A' ' 642' ' ' LEU . 40.0 p -66.03 -33.44 75.81 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.825 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -43.39 83.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.035 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 541' ' ' GLU . 26.3 t -70.98 -44.78 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 111.808 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.7 t -59.96 -48.5 87.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.775 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -67.09 -33.39 75.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.311 -179.646 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.544 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.1 t80 -61.49 -49.74 75.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.8 mt -71.02 -30.36 66.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.796 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.29 73.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.447 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.6 mmt180 -63.8 -49.2 73.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.532 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.51 -32.54 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -74.33 -23.56 59.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.52 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' LYS . . . . . 0.425 ' HA ' ' OG ' ' A' ' 567' ' ' SER . 18.7 mttt -92.78 -47.75 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.981 0.42 . . . . 0.0 110.404 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.22 116.29 59.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.692 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.32 129.34 33.09 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.148 2.565 . . . . 0.0 112.646 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -25.53 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.475 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -148.39 149.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.6 m -89.2 99.98 12.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.071 0.462 . . . . 0.0 110.372 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 20.2 t90 -165.68 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.211 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.4 p -127.9 128.48 23.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.172 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.66 ' HG2' ' HA ' ' A' ' 582' ' ' ILE . 5.2 Cg_exo -76.14 61.92 6.64 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.881 2.387 . . . . 0.0 111.828 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' THR . . . . . 0.442 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -73.51 -26.96 61.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.873 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 564' ' ' GLN . . . . . 0.508 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.46 -44.13 80.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.717 0.294 . . . . 0.0 111.676 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.578 HG13 ' HB1' ' A' ' 581' ' ' ALA . 7.5 p -78.91 -25.38 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.766 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -69.21 -38.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.142 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' SER . . . . . 0.477 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -71.6 -13.95 61.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.392 0.615 . . . . 0.0 110.343 179.564 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -19.89 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.996 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -90.5 146.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 111.657 -179.416 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -102.34 138.02 19.58 Favored Pre-proline 0 C--N 1.313 -0.999 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.708 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 570' ' ' LEU . 40.3 Cg_endo -68.91 19.58 0.15 Allowed 'Trans proline' 0 C--N 1.334 -0.23 0 C-N-CA 122.374 2.05 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.674 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 19.1 p -107.71 -11.3 15.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.039 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.2 OUTLIER -97.36 6.15 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.282 0.563 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 101.34 -156.13 19.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.559 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -119.14 -11.28 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.788 0.294 . . . . 0.0 110.999 179.464 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -38.62 67.87 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.441 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.63 -37.63 85.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.708 179.749 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -63.08 -38.89 93.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.667 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -64.94 -44.8 88.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 23.9 m -61.87 -37.32 84.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.715 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.578 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.36 -45.56 80.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.66 ' HA ' ' HG2' ' A' ' 562' ' ' PRO . 5.2 pt -93.37 5.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 62.82 39.38 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.661 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -117.37 52.51 0.97 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.332 0.587 . . . . 0.0 110.123 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.75 -12.74 67.95 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.477 -0.783 . . . . 0.0 114.664 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.87 -22.35 20.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.893 0.847 . . . . 0.0 110.537 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.6 -22.9 58.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.632 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.75 -25.3 60.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.582 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.519 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -59.23 -34.15 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.044 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.519 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -65.44 -39.32 91.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.728 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.584 ' CE1' HD11 ' A' ' 618' ' ' ILE . 79.7 m-85 -68.61 -43.83 75.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.518 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -57.86 -44.45 86.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.496 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.9 82.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.567 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -81.36 -12.47 58.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.635 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.12 36.17 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.543 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -104.05 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.752 0.311 . . . . 0.0 110.606 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -150.18 13.15 0.77 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.982 0.42 . . . . 0.0 110.563 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.14 172.45 6.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.674 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.34 136.97 35.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.318 -179.622 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -23.41 2.26 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.613 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.9 OUTLIER -57.81 -45.08 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.08 0.552 . . . . 0.0 111.42 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 25.0 ttp -61.8 -46.05 91.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.632 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.93 -40.02 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.707 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -61.81 -47.22 86.11 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -64.73 -33.9 77.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.0 110.112 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 612' ' ' ILE . 31.7 t80 -64.73 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.041 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -41.43 97.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -77.75 -27.41 50.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.522 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.457 ' HB2' HG13 ' A' ' 612' ' ' ILE . 74.7 m-70 -119.24 -147.04 0.39 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.969 0.414 . . . . 0.0 111.326 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.426 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.7 p-10 -168.45 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.73 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.05 41.0 3.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.988 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.0 OUTLIER -55.2 -52.45 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.363 -179.393 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.2 m-85 -59.89 -41.99 92.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.145 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.86 92.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.463 0.649 . . . . 0.0 110.295 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -42.47 75.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.92 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.2 pt -67.6 -25.68 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 114.44 32.13 2.03 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.153 -1.022 . . . . 0.0 113.508 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.63 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.989 0.395 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 128.77 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.356 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.706 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.99 -23.03 67.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.047 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -18.59 62.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -118.42 -6.03 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 13.7 tp -54.68 -44.6 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.557 0.536 . . . . 0.0 112.378 -178.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -47.87 82.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.283 0.563 . . . . 0.0 111.502 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -69.37 -33.69 73.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.418 0.627 . . . . 0.0 109.734 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.53 69.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.755 -1.112 . . . . 0.0 111.695 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -65.84 -31.85 73.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.59 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.7 -50.16 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.309 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.425 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.467 ' HE2' HD13 ' A' ' 612' ' ' ILE . 1.3 t80 -63.1 -50.49 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.737 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.575 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 3.4 mm? -66.7 -40.8 88.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.711 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 50.8 m -60.94 -39.14 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.931 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.766 ' HD1' HG13 ' A' ' 566' ' ' VAL . 28.0 t80 -63.51 -45.92 88.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.46 -38.18 83.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -65.62 -41.75 92.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.542 HD11 ' HB1' ' A' ' 553' ' ' ALA . 76.7 mt -61.54 -47.28 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 109.997 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 637' ' ' GLN . 8.1 tp60 -61.13 -42.93 99.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.161 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.26 -38.55 90.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.558 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -63.24 -27.03 69.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.507 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.8 mmm -68.57 -32.92 73.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.306 0.574 . . . . 0.0 109.717 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -4.94 45.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.949 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.761 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -57.67 123.51 63.17 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.163 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.47 8.49 4.25 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.815 2.343 . . . . 0.0 112.348 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.477 ' HB3' HG21 ' A' ' 543' ' ' THR . 5.8 ttpp . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 121.125 0.488 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -120.57 -160.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.535 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.2 OUTLIER -137.33 149.2 46.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.132 -179.043 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.24 138.83 52.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.24 0.543 . . . . 0.0 110.622 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 532' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 9.1 m-85 -89.24 131.68 35.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.386 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 147.71 51.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 137.9 34.52 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 120.935 0.398 . . . . 0.0 110.477 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.9 tp -118.03 143.74 46.17 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.43 120.59 32.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.035 0.445 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.585 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -123.71 126.69 46.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.104 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 538' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -81.97 155.04 25.42 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.237 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.752 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.63 -40.71 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.67 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -63.35 -46.67 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -81.29 -27.64 34.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.441 . . . . 0.0 111.086 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.585 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 67.4 t80 -53.42 -51.44 62.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.37 -177.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.895 HG22 ' HG ' ' B' ' 642' ' ' LEU . 24.6 p -64.6 -35.81 82.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.021 0.439 . . . . 0.0 110.733 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -66.72 -44.54 81.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.147 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.44 HG21 HD11 ' B' ' 537' ' ' LEU . 20.9 t -70.4 -45.3 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.525 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.3 t -59.65 -50.8 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.768 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -68.52 -32.79 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.504 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.14 -47.29 83.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.7 mt -72.19 -35.52 68.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.093 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.34 73.91 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.825 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.768 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 19.7 mmt85 -65.04 -43.27 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.65 -34.03 76.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.364 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.02 -32.97 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.972 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -74.8 -57.9 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 110.017 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.48 122.11 58.29 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.789 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 556' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 18.6 Cg_endo -57.69 127.5 25.52 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.38 2.054 . . . . 0.0 111.622 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -125.93 -10.94 6.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.665 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.47 131.09 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.47 109.55 19.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -174.39 -55.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.057 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.47 133.0 22.82 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.214 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.82 69.18 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.783 2.322 . . . . 0.0 112.028 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -36.92 80.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.565 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -56.67 -49.12 76.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.499 -179.167 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.586 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -69.96 -32.35 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.163 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.868 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.4 t -65.01 -42.77 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.405 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.424 0.63 . . . . 0.0 109.557 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.1 -25.43 62.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.9 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 569' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' B' ' 566' ' ' VAL . 18.5 mt -76.83 130.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.58 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -87.22 122.38 70.96 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 176.375 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' B' ' 570' ' ' LEU . 26.1 Cg_endo -64.61 6.91 0.28 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.067 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.81 ' HA ' ' HB2' ' B' ' 599' ' ' MET . 54.6 p -95.92 -3.63 44.91 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 573' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.8 OUTLIER -102.66 2.6 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.364 0.602 . . . . 0.0 109.629 178.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 105.94 -144.18 15.79 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.331 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -126.97 -2.3 6.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.766 0.283 . . . . 0.0 111.206 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -45.02 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.844 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.0 -47.12 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -61.84 -42.13 98.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.36 0.6 . . . . 0.0 109.578 178.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.0 m -62.52 -39.64 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.2 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -58.37 -41.52 84.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.136 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.532 ' HB ' ' HE3' ' B' ' 625' ' ' LYS . 5.4 pt -95.23 5.27 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt 61.77 42.01 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.639 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -120.41 55.71 1.01 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -79.6 24.05 3.32 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.725 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -122.39 -27.32 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.79 0.805 . . . . 0.0 109.681 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.72 -20.5 59.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.25 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.581 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.33 -25.91 50.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.885 179.739 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.559 HG12 HD22 ' B' ' 590' ' ' LEU . 1.6 p -58.99 -34.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.119 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.559 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.64 -36.6 82.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.065 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.581 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 87.3 m-85 -67.44 -42.75 82.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.751 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.36 -35.47 73.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.364 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.79 91.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.33 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 594' ' ' ASN . . . . . 0.854 HD22 HD11 ' B' ' 596' ' ' ILE . 56.3 t30 -79.76 -11.93 59.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.34 20.59 29.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.23 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.854 HD11 HD22 ' B' ' 594' ' ' ASN . 2.9 mt -100.5 90.18 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.64 0.257 . . . . 0.0 110.887 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.61 12.11 2.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.067 0.46 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.37 173.83 8.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.215 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.81 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 3.9 ptt? -80.32 152.71 28.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -41.45 1.81 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -39.46 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.805 0.442 . . . . 0.0 111.85 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.1 ttm -58.69 -48.85 79.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.319 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 603' ' ' ILE . . . . . 0.759 HG12 ' HG2' ' B' ' 637' ' ' GLN . 1.1 mp -69.78 -41.91 79.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.384 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -58.55 -42.02 86.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.684 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.803 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -65.06 -33.33 75.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.936 ' HA ' HD11 ' B' ' 612' ' ' ILE . 76.7 t80 -67.31 -39.25 85.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.708 0.289 . . . . 0.0 110.546 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 607' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 21.5 mt-10 -72.94 -44.74 60.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.16 0.505 . . . . 0.0 110.49 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -77.4 -29.41 53.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.515 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 8.0 m-70 -123.89 -50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 11.2 t-20 77.05 -43.17 0.43 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.211 0.604 . . . . 0.0 111.38 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 611' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 14.1 t70 -93.36 33.31 1.24 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.936 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.4 OUTLIER -60.08 -56.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.984 -178.277 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 613' ' ' PHE . . . . . 0.415 ' HB3' HG13 ' B' ' 618' ' ' ILE . 2.1 m-85 -57.96 -41.56 83.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.451 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.9 OUTLIER -68.2 -36.29 79.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.0 110.049 178.624 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 615' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 1.6 ttt-85 -70.18 -42.35 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.798 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 616' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' B' ' 594' ' ' ASN . 34.3 pt -68.27 -26.38 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 617' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.32 35.6 2.09 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.623 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.9 mm -65.88 144.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.24 136.65 56.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -64.19 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.015 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -15.95 63.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 111.24 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 5.4 mtmp? -117.02 -10.31 10.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 11.2 tp -54.5 -45.22 73.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -47.95 82.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 625' ' ' LYS . . . . . 0.532 ' HE3' ' HB ' ' B' ' 582' ' ' ILE . 0.2 OUTLIER -70.28 -34.02 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.429 0.633 . . . . 0.0 109.74 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 626' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' B' ' 622' ' ' LYS . 0.2 OUTLIER -59.72 -52.99 63.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.373 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.16 -32.64 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -50.67 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.18 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.09 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.31 -49.29 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.491 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 3.7 mm? -62.88 -44.87 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 17.4 m -62.5 -37.11 84.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.552 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.5 OUTLIER -64.98 -41.52 95.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.886 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.7 -38.16 84.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.378 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.476 HD11 ' HB1' ' B' ' 553' ' ' ALA . 28.2 mt -65.41 -45.66 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.319 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.759 ' HG2' HG12 ' B' ' 603' ' ' ILE . 9.2 tp60 -57.6 -42.81 83.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.315 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.14 -35.0 79.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.199 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.655 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -62.96 -28.58 70.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.5 mtt -69.67 -23.28 63.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 109.455 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 641' ' ' LYS . . . . . 0.524 ' HE3' ' HG3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -95.79 -5.9 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.613 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.895 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.3 OUTLIER -64.23 119.67 58.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.708 -179.15 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.84 -7.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.839 2.359 . . . . 0.0 111.947 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.432 ' HB2' HG21 ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.565 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.471 0.653 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -119.02 176.72 5.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.185 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' TYR . . . . . 0.642 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.2 OUTLIER -135.85 148.83 48.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.12 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.47 121.57 13.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.939 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.02 128.88 35.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 137.88 53.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.949 0.404 . . . . 0.0 111.264 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 104.63 16.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.943 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' LEU . . . . . 0.492 HD22 ' HE1' ' B' ' 542' ' ' TYR . 1.7 tp -105.07 150.25 25.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.175 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.54 121.95 32.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.348 0.594 . . . . 0.0 109.711 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.0 OUTLIER -110.2 129.04 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.209 -179.017 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.648 ' HB2' ' CE1' ' B' ' 530' ' ' TYR . 85.8 p -78.56 157.6 28.74 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -28.09 63.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.35 -48.0 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 541' ' ' GLU . 0.5 OUTLIER -82.62 -27.67 31.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 542' ' ' TYR . . . . . 0.563 ' HA ' HD12 ' A' ' 537' ' ' LEU . 70.2 t80 -52.89 -50.2 64.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.883 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.997 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.2 p -66.99 -34.96 78.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.32 0.581 . . . . 0.0 110.76 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.9 -44.4 85.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.24 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' B' ' 549' ' ' LEU . 54.3 t -71.39 -44.22 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.678 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 52.3 t -59.72 -49.5 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.942 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -65.78 -34.27 77.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.096 -179.404 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 548' ' ' PHE . . . . . 0.598 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.1 t80 -59.21 -51.53 69.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.182 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' LEU . . . . . 0.632 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.1 mt -72.27 -27.53 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.716 0.293 . . . . 0.0 111.33 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.2 mmt85 -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.434 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.425 ' HG3' ' HA ' ' A' ' 549' ' ' LEU . 2.0 mt-10 -67.94 -32.15 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.275 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.86 -38.69 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.75 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -71.37 -55.57 7.72 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 72.4 t -94.44 118.55 66.97 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 3.5 Cg_endo -46.26 124.19 7.42 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.548 2.165 . . . . 0.0 113.126 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -141.84 6.49 1.81 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.057 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.62 124.73 51.68 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.348 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -21.03 17.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.497 0.665 . . . . 0.0 110.029 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.412 ' HZ3' ' CA ' ' A' ' 625' ' ' LYS . 2.7 t90 -80.24 -45.7 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.761 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 4.3 p -127.24 131.89 24.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.036 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 45.9 Cg_exo -57.46 129.9 36.31 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 111.752 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.44 -35.63 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.9 78.34 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.66 -30.76 49.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.31 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.2 t -70.7 -40.63 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.44 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -14.14 61.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.405 0.621 . . . . 0.0 110.127 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -10.97 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.59 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.589 HG12 ' HD2' ' A' ' 577' ' ' ARG . 2.7 mt -90.45 145.5 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.694 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.9 OUTLIER -94.39 123.52 58.3 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 571' ' ' PRO . . . . . 0.694 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.7 Cg_endo -65.6 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.142 2.562 . . . . 0.0 113.078 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 570' ' ' LEU . 21.8 p -103.34 -8.55 20.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.35 0.595 . . . . 0.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.28 -118.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.648 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.446 ' HA3' ' OE1' ' A' ' 576' ' ' GLU . . . -143.02 159.86 27.47 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.217 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -68.88 -3.9 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.446 ' OE1' ' HA3' ' A' ' 574' ' ' GLY . 5.7 pm0 -55.62 -40.03 71.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.713 0.292 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' ARG . . . . . 0.589 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.73 -41.26 75.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.007 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -65.37 -42.73 92.42 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.787 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -60.33 -37.6 81.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.111 0.481 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.45 75.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.514 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.477 ' HB ' ' HE2' ' A' ' 625' ' ' LYS . 7.7 pt -102.38 9.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.417 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 41.37 6.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -102.73 54.01 0.78 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.672 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -66.63 -16.41 65.54 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.727 -0.669 . . . . 0.0 114.073 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -111.15 -28.87 8.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.805 0.803 . . . . 0.0 111.743 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.57 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.5 m-20 -64.62 -23.19 67.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.636 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' SER . . . . . 0.518 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -58.65 -26.06 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.491 179.171 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.69 -33.87 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.45 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 590' ' ' LEU . . . . . 0.456 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.55 -37.76 88.56 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.552 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 618' ' ' ILE . 80.1 m-85 -68.67 -41.39 79.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.404 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.47 -40.86 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.352 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.63 83.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.274 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -81.5 -10.13 59.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.125 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.93 40.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.394 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 591' ' ' PHE . 15.7 mt -89.78 -97.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 122.156 0.182 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 575' ' ' LEU . 21.3 p90 54.1 -2.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.528 1.531 . . . . 0.0 115.025 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.63 147.71 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.138 0.426 . . . . 0.0 110.526 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -81.08 143.09 32.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 96.92 -42.31 2.2 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -39.99 92.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.92 -0.64 . . . . 0.0 109.503 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' MET . . . . . 0.42 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.95 -34.48 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.485 178.638 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -67.92 -39.87 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -44.18 91.52 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.849 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.74 -33.91 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.02 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' A' ' 612' ' ' ILE . 47.0 t80 -66.81 -38.04 85.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.125 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.38 -42.93 74.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.65 -36.91 65.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.483 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 52.4 m-70 -118.37 -138.18 0.35 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.448 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 2.6 p30 -173.11 -32.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 615' ' ' ARG . 2.5 t0 -105.56 39.36 1.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.272 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.9 OUTLIER -54.68 -55.13 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.316 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 613' ' ' PHE . . . . . 0.46 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.1 m-85 -58.43 -44.49 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.69 84.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.19 0.519 . . . . 0.0 110.306 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 611' ' ' ASP . 0.2 OUTLIER -66.32 -43.04 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.306 -179.507 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 40.8 pt -71.86 -23.62 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.27 30.64 2.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.112 -1.042 . . . . 0.0 113.747 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.518 HD11 ' CE1' ' A' ' 591' ' ' PHE . 24.1 mm -68.77 145.69 13.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 116.969 0.385 . . . . 0.0 110.212 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 622' ' ' LYS . 21.0 t70 -65.32 130.56 43.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 111.146 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.795 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -68.58 -30.96 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.023 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -13.97 60.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.721 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.762 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 31.1 mtmt -127.88 3.17 5.98 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' LEU . . . . . 0.795 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.4 tp -53.85 -44.75 70.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.002 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 628' ' ' GLU . 0.0 OUTLIER -59.99 -46.99 87.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.98 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 625' ' ' LYS . . . . . 0.762 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -63.91 -37.58 87.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.254 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 626' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 2.8 m-85 -67.18 -48.72 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.097 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -65.33 -35.27 80.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HB3' HG11 ' A' ' 561' ' ' VAL . 1.6 tp10 -59.87 -49.0 79.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.347 0.594 . . . . 0.0 110.611 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.81 -35.28 78.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.903 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' PHE . . . . . 0.678 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -60.17 -49.93 75.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.412 -179.557 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 631' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 631' ' ' LEU . 2.5 mm? -63.13 -43.89 97.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 111.152 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.561 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 19.2 m -63.04 -37.6 87.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD2' HG13 ' A' ' 566' ' ' VAL . 15.6 t80 -65.47 -45.08 85.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.96 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.16 -38.33 82.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.632 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.52 -41.01 98.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.591 HD11 ' HB1' ' A' ' 553' ' ' ALA . 53.2 mt -63.38 -48.67 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.38 -41.62 89.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.579 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.81 -41.19 87.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.98 -26.77 68.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.566 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -35.5 74.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.798 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -4.8 43.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.997 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -56.42 119.88 31.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.615 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 54.1 Cg_endo -95.99 -133.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 123.62 2.88 . . . . 0.0 110.901 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' LYS . . . . . 0.478 ' H ' ' HB2' ' A' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.102 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.051 0.453 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -74.44 171.31 13.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 530' ' ' TYR . . . . . 0.648 ' CE1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER -141.06 159.97 41.07 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.08 -178.818 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 133.7 51.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.145 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.08 131.98 34.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.43 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -109.79 128.38 55.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.734 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.41 111.86 17.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 535' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 542' ' ' TYR . 17.5 tp -100.84 139.75 36.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.91 120.9 33.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.301 0.572 . . . . 0.0 111.091 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 537' ' ' LEU . . . . . 0.458 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -121.92 124.42 44.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.496 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.6 156.05 25.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 539' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -50.46 -44.85 55.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.38 89.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 541' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -82.48 -29.65 30.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.938 0.399 . . . . 0.0 111.469 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 542' ' ' TYR . . . . . 0.492 ' HE1' HD22 ' A' ' 535' ' ' LEU . 76.9 t80 -54.21 -52.51 61.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 543' ' ' THR . . . . . 0.807 HG22 ' HG ' ' B' ' 642' ' ' LEU . 29.8 p -62.99 -37.2 86.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.916 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.88 -44.71 80.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 545' ' ' VAL . . . . . 0.443 HG22 ' HE2' ' A' ' 548' ' ' PHE . 97.9 t -70.79 -43.93 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.382 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 546' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' B' ' 639' ' ' ALA . 54.1 t -59.94 -49.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.998 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 547' ' ' GLU . . . . . 0.771 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.22 -36.48 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.551 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -58.3 -47.13 84.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.781 -179.309 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 16.2 mt -71.22 -29.91 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.23 76.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.628 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 551' ' ' ARG . . . . . 0.771 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt85 -66.96 -42.82 84.53 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.262 0.553 . . . . 0.0 109.67 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 552' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 557' ' ' ARG . 0.1 OUTLIER -62.88 -43.25 99.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.011 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' B' ' 636' ' ' ILE . . . -77.68 -17.93 57.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.994 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -80.44 -52.12 8.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.102 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 4.1 m -85.28 155.54 60.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.991 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -65.4 124.1 12.41 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 108.92 -1.223 . . . . 0.0 108.92 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 557' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' B' ' 552' ' ' GLU . 1.5 ttt180 -167.0 23.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.347 0.594 . . . . 0.0 110.038 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -142.66 132.45 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.774 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -27.92 9.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.033 0.444 . . . . 0.0 111.056 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 560' ' ' TRP . . . . . 0.746 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 22.7 t90 -78.73 -39.9 35.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.626 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 561' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.5 p -118.64 127.49 26.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.78 63.46 8.74 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.763 2.309 . . . . 0.0 112.468 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 563' ' ' THR . . . . . 0.416 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -74.7 -19.37 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.299 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -58.52 -40.2 82.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.803 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' B' ' 581' ' ' ALA . 8.0 p -81.4 -21.36 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 566' ' ' VAL . . . . . 0.786 HG13 ' HD2' ' B' ' 633' ' ' PHE . 1.2 t -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.976 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 567' ' ' SER . . . . . 0.423 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.85 -14.08 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.235 0.541 . . . . 0.0 110.502 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -19.23 53.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 569' ' ' ILE . . . . . . . . . . . . . 1.6 mt -82.47 145.49 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.315 0.578 . . . . 0.0 111.326 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 570' ' ' LEU . . . . . 0.708 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -93.81 126.97 47.43 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.852 178.008 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 571' ' ' PRO . . . . . 0.817 ' HA ' ' HG3' ' B' ' 599' ' ' MET . 44.3 Cg_endo -69.97 15.82 0.24 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.922 2.414 . . . . 0.0 112.044 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 570' ' ' LEU . 81.3 p -102.51 -4.79 24.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.142 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -104.29 -130.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.442 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 574' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' B' ' 599' ' ' MET . . . -115.57 -153.83 10.36 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.619 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 575' ' ' LEU . . . . . 0.616 HD22 ' SD ' ' B' ' 602' ' ' MET . 0.0 OUTLIER -115.54 -2.33 12.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.978 0.418 . . . . 0.0 110.322 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.35 -42.69 74.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -37.36 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.23 -44.98 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.474 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 579' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.32 -44.15 88.75 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.402 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 37.6 m -60.57 -37.16 80.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.168 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 581' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.94 -43.14 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.492 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 582' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.4 pt -94.58 9.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.22 40.91 14.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.24 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 584' ' ' ALA . . . . . 0.527 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -97.82 49.89 1.03 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.839 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.25 62.63 2.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 179.32 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.409 0.624 . . . . 0.0 109.525 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 587' ' ' ASP . . . . . 0.499 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 12.4 m-20 -65.17 -24.69 67.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.051 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 588' ' ' SER . . . . . 0.568 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -25.9 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 589' ' ' VAL . . . . . 0.471 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -62.18 -33.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.369 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 590' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -65.39 -38.82 91.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.566 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 591' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 85.0 m-85 -67.99 -41.53 82.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.159 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 592' ' ' ASN . . . . . 0.439 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 5.5 t-20 -62.46 -40.49 96.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.279 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.46 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.842 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.31 -11.77 59.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.349 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 88.43 17.5 56.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.639 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 596' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 591' ' ' PHE . 17.4 mt -81.73 -95.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 597' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' B' ' 575' ' ' LEU . 40.7 p90 52.15 -5.34 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 598' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.09 147.65 36.86 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.662 -0.649 . . . . 0.0 110.41 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 599' ' ' MET . . . . . 0.817 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.44 150.92 28.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 94.97 -46.41 2.06 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.27 -35.98 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.366 0.603 . . . . 0.0 109.426 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.616 ' SD ' HD22 ' B' ' 575' ' ' LEU . 3.3 ttp -62.56 -39.26 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -41.36 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.362 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -62.52 -43.32 99.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.653 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.79 -36.11 82.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.125 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 606' ' ' PHE . . . . . 0.642 ' HA ' HD11 ' B' ' 612' ' ' ILE . 35.3 t80 -65.85 -41.15 92.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.31 -42.58 88.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.718 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -76.22 -30.48 57.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 41.8 m-70 -117.55 -138.27 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 1.2 p30 175.23 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -102.91 34.21 2.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.553 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 612' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -57.63 -61.28 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.124 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.75 -41.67 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.366 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.85 -37.05 83.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.272 0.558 . . . . 0.0 110.27 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.39 -42.27 92.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.19 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 38.3 pt -73.07 -23.72 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.794 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.25 3.87 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.836 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 618' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.8 mm -66.44 146.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.58 ' HB3' ' HE2' ' B' ' 622' ' ' LYS . 8.6 t0 -64.66 120.31 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.773 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.5 m -71.24 -14.99 62.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.685 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.8 -18.69 61.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.863 -0.523 . . . . 0.0 110.398 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 622' ' ' LYS . . . . . 0.58 ' HE2' ' HB3' ' B' ' 619' ' ' ASP . 15.8 mtmt -128.38 2.6 5.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 623' ' ' LEU . . . . . 0.773 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 13.4 tp -53.01 -36.96 61.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.396 0.678 . . . . 0.0 112.608 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 624' ' ' SER . . . . . 0.746 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -59.02 -47.39 85.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.947 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.92 82.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.78 -47.43 85.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.699 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.03 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.761 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.6 tp10 -60.86 -48.77 80.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 109.716 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.56 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.435 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 630' ' ' PHE . . . . . 0.561 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.3 t80 -58.94 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 631' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.2 mm? -64.24 -44.15 92.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -60.55 -42.38 96.43 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 633' ' ' PHE . . . . . 0.786 ' HD2' HG13 ' B' ' 566' ' ' VAL . 14.4 t80 -63.5 -37.83 88.82 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.202 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -60.08 -41.72 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.369 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 635' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 27.3 mmt180 -66.55 -46.22 76.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 636' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 640' ' ' MET . 77.0 mt -60.83 -45.56 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -58.34 -46.26 86.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 638' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -65.78 -39.99 91.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.518 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 639' ' ' ALA . . . . . 0.576 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.62 -27.09 68.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.309 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 640' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 21.1 mtt -67.5 -33.28 74.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.271 0.558 . . . . 0.0 109.835 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -4.88 42.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.288 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 642' ' ' LEU . . . . . 0.807 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 tp -53.01 114.72 6.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.731 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 643' ' ' PRO . . . . . 0.445 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 83.9 Cg_endo -94.48 -144.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.294 2.663 . . . . 0.0 111.26 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 644' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.592 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' B' ' 538' ' ' SER . 19.7 t80 . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 146.62 30.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.611 ' HE2' HD21 ' A' ' 631' ' ' LEU . 9.7 m-85 -110.05 142.62 41.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.021 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -126.16 126.27 43.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.022 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.69 111.76 17.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.653 HD13 ' HE1' ' B' ' 542' ' ' TYR . 11.8 tp -96.95 150.78 20.37 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.782 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.64 119.18 30.67 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.541 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 2.0 mm? -118.3 113.27 21.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.46 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' B' ' 532' ' ' PHE . 0.0 OUTLIER -71.55 157.4 38.07 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.14 -47.41 17.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . 0.403 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . . . -69.87 -44.59 69.51 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.97 -31.75 64.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.378 0.609 . . . . 0.0 110.206 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.599 ' CE1' HD13 ' B' ' 535' ' ' LEU . 65.3 t80 -58.16 -50.9 71.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.536 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.814 HG22 ' HG ' ' A' ' 642' ' ' LEU . 4.5 p -66.9 -33.34 75.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -61.95 -46.2 90.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.81 -43.87 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.408 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 542' ' ' TYR . 47.6 t -59.51 -47.72 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.91 -36.37 77.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.251 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.6 t80 -58.98 -50.89 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.058 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.6 mt -71.71 -28.8 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.202 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.31 86.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 10.9 mmt85 -67.72 -37.31 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.703 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.413 ' HB3' ' HE1' ' A' ' 558' ' ' TYR . 3.2 mm-40 -66.25 -39.66 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.459 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.14 -34.52 49.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.872 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.22 -54.7 21.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.5 122.32 59.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 564' ' ' GLN . 9.7 Cg_endo -52.76 126.01 19.83 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.36 2.04 . . . . 0.0 112.811 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -152.13 14.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.598 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . 0.413 ' HE1' ' HB3' ' A' ' 552' ' ' GLU . 50.3 m-85 -130.54 123.44 29.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.642 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -20.67 16.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.297 0.57 . . . . 0.0 109.783 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.431 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 6.5 t90 -69.08 -39.49 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.067 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.22 122.14 14.8 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.915 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.73 87.27 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.783 2.322 . . . . 0.0 112.165 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -24.49 35.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.322 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 556' ' ' PRO . 5.9 pm0 -57.4 -40.59 78.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 569' ' ' ILE . 13.2 p -77.69 -30.26 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.694 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.04 -42.3 91.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -14.7 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -20.35 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.69 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 566' ' ' VAL . 9.6 mt -77.02 134.44 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.285 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.601 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -88.81 119.19 69.9 Favored Pre-proline 0 N--CA 1.434 -1.237 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 176.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.601 ' HD2' HD13 ' A' ' 570' ' ' LEU . 17.9 Cg_endo -60.08 -3.02 2.0 Allowed 'Trans proline' 0 CA--C 1.521 -0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.31 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 570' ' ' LEU . 71.2 p -81.12 -17.3 50.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.336 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -27.01 25.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.616 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.91 -134.26 7.94 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -129.95 0.77 4.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.605 0.241 . . . . 0.0 110.572 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -46.35 75.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.408 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.23 -36.75 77.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.689 0.28 . . . . 0.0 110.47 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.87 -43.71 94.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -67.49 -40.57 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 32.8 m -60.86 -37.87 83.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.07 68.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.77 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.1 pt -103.27 5.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.503 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 583' ' ' LYS . 0.4 OUTLIER 65.58 43.36 3.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.302 0.572 . . . . 0.0 111.172 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.6 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.25 51.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -65.38 -18.66 65.66 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -31.93 9.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.45 0.625 . . . . 0.0 111.169 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.453 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 4.6 m-20 -70.72 -24.41 62.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.398 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.524 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.39 -25.85 64.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.972 0.415 . . . . 0.0 111.007 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -61.84 -33.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.204 -179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -63.4 -37.14 86.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.051 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 618' ' ' ILE . 57.1 m-85 -68.14 -44.75 75.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -38.76 81.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.222 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.95 92.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.31 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -84.59 -6.58 59.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.771 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.27 21.41 41.58 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.52 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 575' ' ' LEU . 6.1 mt -99.71 98.55 7.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.892 0.377 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.59 19.87 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.13 11.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.278 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 11.1 ttt -80.22 137.73 36.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.322 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.75 -36.28 3.7 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.248 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -45.12 95.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -42.89 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.0 OUTLIER -68.85 -41.65 82.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.065 0.46 . . . . 0.0 109.994 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 -61.85 -45.26 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.808 ' HB3' HG12 ' A' ' 612' ' ' ILE . 3.8 mm-40 -62.18 -34.09 75.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.281 0.562 . . . . 0.0 110.173 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.904 ' HA ' HD11 ' A' ' 612' ' ' ILE . 85.4 t80 -69.28 -38.48 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.576 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 24.5 mt-10 -74.17 -36.44 64.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.259 0.552 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.67 -40.59 48.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.944 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -124.04 -54.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 85.27 -30.74 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.092 0.87 . . . . 0.0 110.15 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -94.0 28.19 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.904 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.7 OUTLIER -51.24 -52.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.899 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 591' ' ' PHE . 2.5 m-85 -57.83 -43.88 86.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.949 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -35.8 80.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.294 0.569 . . . . 0.0 110.312 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -43.47 70.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.712 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.6 pt -72.36 -22.84 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.07 30.9 3.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.881 -1.152 . . . . 0.0 113.716 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.0 mm -67.74 146.14 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 622' ' ' LYS . 3.3 t70 -65.28 123.63 20.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.146 0.498 . . . . 0.0 110.98 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.713 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.09 -24.13 66.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.331 . . . . 0.0 111.428 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' A' ' 622' ' ' LYS . 20.8 mtmm -129.47 11.52 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.231 0.539 . . . . 0.0 109.86 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.713 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.2 tp -54.67 -42.79 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -48.53 81.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.903 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.431 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 1.0 OUTLIER -63.14 -38.64 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.409 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 3.4 m-85 -65.15 -48.98 71.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.452 ' O ' HD23 ' A' ' 631' ' ' LEU . 9.0 m-85 -65.3 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.779 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.6 -50.23 70.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.03 80.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.472 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.753 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.238 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.612 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 1.4 mm? -64.85 -44.07 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.025 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -38.69 92.19 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.694 ' HD1' HG13 ' A' ' 566' ' ' VAL . 4.8 t80 -61.87 -45.86 91.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.94 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -61.41 -41.69 97.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.777 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 4.2 mmt85 -62.5 -45.37 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' A' ' 553' ' ' ALA . 70.8 mt -61.37 -46.56 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.093 0.473 . . . . 0.0 110.356 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.467 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -57.54 -46.46 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.939 -179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.6 -35.88 75.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.15 -28.6 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.687 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -29.47 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 109.924 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -6.6 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.72 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.814 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -66.0 121.64 77.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.993 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.8 Cg_exo . . . . . 0 N--CA 1.462 -0.337 0 C-N-CA 122.862 2.374 . . . . 0.0 111.506 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.647 ' CE2' ' HB3' ' B' ' 627' ' ' TYR . 1.5 t80 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 120.934 0.397 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 155.9 32.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.79 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 37.7 m-85 -100.47 139.73 35.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.541 0.686 . . . . 0.0 112.249 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.98 128.31 48.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.572 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 121.77 19.85 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.094 0.473 . . . . 0.0 111.453 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.7 tp -115.84 136.9 52.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.231 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.68 34.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.321 0.581 . . . . 0.0 110.108 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 545' ' ' VAL . 1.9 mm? -114.11 127.64 56.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.448 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.612 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -74.58 158.87 32.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -47.56 67.78 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.83 67.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 111.807 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.433 ' OE2' HD22 ' A' ' 549' ' ' LEU . 1.2 mm-40 -66.96 -33.55 75.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.181 0.515 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.653 ' HE1' HD13 ' A' ' 535' ' ' LEU . 86.9 t80 -57.22 -52.34 65.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.984 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.669 ' HA ' HD21 ' B' ' 642' ' ' LEU . 1.4 p -66.37 -34.78 78.73 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' B' ' 541' ' ' GLU . 7.5 ttpt -65.16 -44.6 88.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.268 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 537' ' ' LEU . 37.8 t -70.15 -44.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.5 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.0 t -59.44 -47.42 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.205 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.707 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -68.63 -35.81 77.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.207 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.515 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.91 -51.03 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.111 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' B' ' 635' ' ' ARG . 11.1 mt -67.36 -30.23 69.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 0.0 110.598 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.44 77.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.033 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 17.0 mmt85 -68.83 -44.35 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.233 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.84 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.36 -18.81 57.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.994 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.12 -71.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.475 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.4 t -76.16 125.9 87.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.76 124.66 14.02 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.327 2.018 . . . . 0.0 112.595 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . 0.627 ' HG3' ' HD1' ' B' ' 558' ' ' TYR . 0.0 OUTLIER -147.59 -3.2 0.55 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.588 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . 0.627 ' HD1' ' HG3' ' B' ' 557' ' ' ARG . 1.7 m-85 -122.23 146.47 47.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -18.06 11.79 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.616 ' CZ3' ' HA ' ' B' ' 625' ' ' LYS . 9.8 t90 -70.59 -46.25 63.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.847 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.553 HG13 ' CE3' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -124.39 134.81 25.82 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.975 178.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' B' ' 582' ' ' ILE . 6.3 Cg_exo -79.67 60.74 7.94 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.816 2.344 . . . . 0.0 111.427 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -70.83 -23.17 62.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.461 ' HG2' ' N ' ' B' ' 565' ' ' VAL . 18.7 pm0 -59.16 -35.66 73.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.56 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.3 p -87.01 -25.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -64.96 -38.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.667 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.64 -14.9 62.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.38 0.61 . . . . 0.0 110.141 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -91.56 -17.09 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.498 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' B' ' 566' ' ' VAL . 82.8 mt -74.35 136.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.883 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 570' ' ' LEU . 0.2 OUTLIER -89.97 114.07 59.46 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.507 ' HD2' HD13 ' B' ' 570' ' ' LEU . 24.3 Cg_endo -63.03 3.76 0.5 Allowed 'Trans proline' 0 C--O 1.226 -0.112 0 C-N-CA 122.589 2.193 . . . . 0.0 112.011 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.493 ' H ' ' C ' ' B' ' 570' ' ' LEU . 82.4 p -89.99 -17.5 27.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.306 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 2.5 mt-10 -79.71 -17.7 52.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.495 0.664 . . . . 0.0 109.928 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.18 -136.0 10.62 Favored Glycine 0 N--CA 1.437 -1.296 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.558 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -124.26 -5.28 7.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.93 0.365 . . . . 0.0 110.592 179.393 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -58.95 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.575 -178.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.678 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -61.87 -37.61 85.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.334 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.08 -43.13 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.713 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.1 OUTLIER -65.44 -41.64 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 22.8 m -59.99 -38.56 82.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.98 76.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.82 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.461 HG22 ' HD2' ' B' ' 562' ' ' PRO . 20.3 pt -96.91 6.21 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.631 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.83 41.51 4.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.855 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -94.8 49.75 1.26 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.72 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.6 -11.09 64.86 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.412 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.64 -32.02 8.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.212 0.53 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.18 -23.18 59.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.53 -26.06 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.701 179.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.527 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.91 -34.11 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.411 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.527 HD22 HG12 ' B' ' 589' ' ' VAL . 1.4 mm? -64.66 -36.53 84.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.975 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 62.6 m-85 -68.24 -45.26 73.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.629 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.07 -39.6 86.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.005 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.92 87.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.118 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.454 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.7 t-20 -81.78 -12.2 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.295 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.04 18.5 36.79 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.558 HG22 ' CD2' ' B' ' 575' ' ' LEU . 5.2 mt -98.91 100.61 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.687 0.28 . . . . 0.0 110.869 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.16 16.5 0.64 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.053 0.454 . . . . 0.0 110.773 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.49 172.45 7.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.293 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 5.0 ptt? -80.96 141.45 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.095 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.55 -30.44 2.23 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.42 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' B' ' 605' ' ' GLU . 4.5 t70 -58.72 -44.93 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -45.18 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.588 0.232 . . . . 0.0 110.91 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.436 HG21 HE22 ' B' ' 637' ' ' GLN . 0.7 OUTLIER -68.85 -40.6 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.527 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -65.8 -40.44 91.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -65.08 -33.97 77.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.698 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.76 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.3 t80 -66.36 -38.36 87.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.415 0.626 . . . . 0.0 109.832 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.7 -42.65 73.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -76.51 -38.47 55.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.617 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -110.78 -57.14 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 84.71 -28.06 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 124.092 0.87 . . . . 0.0 110.833 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -105.58 32.37 4.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.609 0.718 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -55.09 -59.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.124 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.531 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.4 m-85 -57.8 -39.12 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.146 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.55 -41.68 92.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.211 0.529 . . . . 0.0 110.374 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -70.55 -43.34 69.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.6 pt -67.99 -26.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.745 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.62 31.98 2.62 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.002 -1.094 . . . . 0.0 114.06 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.6 mm -66.81 145.5 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.557 ' OD2' ' HG3' ' B' ' 622' ' ' LYS . 1.2 t70 -64.82 121.3 14.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.089 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.605 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -63.6 -22.47 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.3 m -71.63 -18.91 62.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.102 0.477 . . . . 0.0 110.716 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.557 ' HG3' ' OD2' ' B' ' 619' ' ' ASP . 28.7 mtmm -124.0 0.97 8.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.8 tp -53.83 -44.12 70.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.613 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.588 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -60.67 -47.16 87.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.643 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.616 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.819 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.449 ' CD1' HD12 ' B' ' 582' ' ' ILE . 3.1 m-85 -59.95 -51.0 71.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . 0.647 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 5.9 m-85 -65.46 -34.29 77.93 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.851 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.582 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 29.4 tp10 -61.31 -50.9 71.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.177 0.513 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' B' ' 633' ' ' PHE . . . -65.57 -37.92 88.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.698 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.65 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.0 OUTLIER -60.97 -49.05 79.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.437 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.79 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 2.8 mm? -66.02 -46.59 77.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 68.8 m -61.61 -36.85 81.89 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.335 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 629' ' ' ALA . 0.6 OUTLIER -62.42 -46.38 88.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.92 -39.42 89.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.751 ' HD2' HD13 ' B' ' 549' ' ' LEU . 3.5 mmt85 -61.03 -44.4 97.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.059 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' B' ' 567' ' ' SER . 52.0 mt -62.78 -46.6 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.923 0.392 . . . . 0.0 110.506 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.436 HE22 HG21 ' B' ' 603' ' ' ILE . 8.2 tt0 -57.79 -46.83 84.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.315 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -38.38 82.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.47 -24.03 64.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.192 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 22.6 mtt -63.44 -36.58 84.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.267 0.556 . . . . 0.0 109.627 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -95.71 -11.17 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' B' ' 543' ' ' THR . 2.4 tp -73.2 122.18 87.0 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.637 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 3.9 Cg_exo -76.1 -83.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.023 2.482 . . . . 0.0 110.881 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.523 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 120.903 0.382 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.99 152.37 31.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.425 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.64 ' HE2' HD21 ' A' ' 631' ' ' LEU . 39.3 m-85 -114.38 137.12 52.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 131.9 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.132 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 116.24 20.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.773 HD13 ' HE1' ' B' ' 542' ' ' TYR . 21.6 tp -102.02 142.19 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.856 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.76 122.16 34.06 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.062 0.458 . . . . 0.0 110.176 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -115.7 132.56 56.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -178.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 96.5 p -81.17 155.96 25.93 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.64 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -57.9 -28.04 63.87 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.026 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.23 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -82.67 -28.31 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.346 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.54 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 52.6 t80 -52.96 -50.81 63.32 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.771 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.662 ' HA ' HD21 ' A' ' 642' ' ' LEU . 2.3 p -67.73 -34.78 77.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.282 0.563 . . . . 0.0 110.959 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . 0.655 ' HD2' ' HZ ' ' B' ' 548' ' ' PHE . 0.1 OUTLIER -64.62 -44.73 89.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.529 HG22 ' HE2' ' B' ' 548' ' ' PHE . 48.8 t -71.4 -42.07 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.827 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.6 t -60.69 -49.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -68.59 -32.06 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.76 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.6 t80 -63.44 -49.58 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.217 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -71.38 -27.17 63.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.89 74.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.4 mmt-85 -65.4 -43.65 89.96 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 109.346 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.86 -37.21 81.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.262 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -76.73 -23.85 53.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -73.45 -28.39 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 110.478 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 556' ' ' PRO . 70.7 t -105.7 144.53 29.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.481 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 6.9 Cg_endo -53.67 125.99 20.4 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.361 1.374 . . . . 0.0 109.921 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 557' ' ' ARG . 2.2 ttt-85 -117.97 -6.58 10.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' A' ' 561' ' ' VAL . 88.7 m-85 -139.47 160.68 39.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.53 17.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.797 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.417 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 2.0 p-90 -87.39 -24.6 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 558' ' ' TYR . 7.1 p -121.93 122.5 27.69 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.45 0.643 . . . . 0.0 111.281 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.35 91.95 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.871 2.381 . . . . 0.0 112.082 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 556' ' ' PRO . 0.8 OUTLIER -69.61 -22.26 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.251 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.659 ' HB3' ' HD3' ' A' ' 556' ' ' PRO . 16.3 pm0 -59.22 -43.05 92.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.313 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.5 p -75.38 -29.6 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.102 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.772 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.95 -40.77 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.148 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.451 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.42 -13.78 61.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.404 0.621 . . . . 0.0 110.347 179.311 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.1 -13.76 37.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 566' ' ' VAL . 22.0 mt -80.46 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.496 0.665 . . . . 0.0 111.425 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -103.87 120.17 52.16 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.566 ' HD2' HD13 ' A' ' 570' ' ' LEU . 19.4 Cg_endo -60.58 -4.1 3.13 Favored 'Trans proline' 0 N--CA 1.47 0.145 0 C-N-CA 122.779 2.319 . . . . 0.0 111.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.487 ' HA ' ' HB3' ' A' ' 599' ' ' MET . 51.1 p -80.88 -14.77 57.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.881 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.7 OUTLIER -94.67 3.1 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.817 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 102.06 -144.43 16.29 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -125.41 -7.45 6.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.742 0.305 . . . . 0.0 110.388 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -35.5 65.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.269 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.34 -39.69 81.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.472 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.54 -41.69 98.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.969 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.5 m -61.07 -41.18 96.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.567 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.43 -40.01 74.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.934 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.3 pt -94.96 5.29 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.916 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.79 41.37 6.94 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.632 0.729 . . . . 0.0 110.396 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.532 ' CB ' HD12 ' A' ' 579' ' ' LEU . . . -90.5 45.43 1.26 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.8 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 586' ' ' HIS . . . -60.93 127.76 43.6 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.24 -0.981 . . . . 0.0 111.338 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 585' ' ' GLY . 55.7 t-80 86.96 -23.73 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.066 0.947 . . . . 0.0 112.032 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 0.9 OUTLIER -66.39 -24.35 66.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.458 0.647 . . . . 0.0 109.533 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.512 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -59.27 -25.01 63.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.211 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.462 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.23 -33.84 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.462 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.81 -38.81 92.5 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 74.2 m-85 -68.33 -43.39 77.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.314 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.66 -37.78 73.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.368 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.63 91.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.332 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.591 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.8 t-20 -83.59 -11.23 57.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.42 16.82 48.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.143 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.5 mt -96.95 92.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.776 0.322 . . . . 0.0 111.021 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.1 25.89 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.174 0.511 . . . . 0.0 110.151 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.15 172.49 12.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.092 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.487 ' HB3' ' HA ' ' A' ' 572' ' ' THR . 7.0 ptp -79.86 147.29 31.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.241 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.46 -44.69 3.24 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.39 -48.53 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.155 0.582 . . . . 0.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 2.4 ttt -58.39 -47.36 84.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.673 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.508 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.3 mp -68.42 -40.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -44.76 95.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.39 -34.11 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.111 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.628 ' HA ' HD11 ' A' ' 612' ' ' ILE . 75.5 t80 -66.67 -37.24 84.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 0.0 110.404 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 51.0 mt-10 -62.7 -43.44 98.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.665 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -78.17 -41.17 35.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.867 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -126.78 131.58 51.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.621 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.03 -1.75 57.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.041 0.448 . . . . 0.0 110.104 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 614' ' ' GLU . 17.6 p-10 -122.11 38.7 4.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.383 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.879 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -55.91 -51.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.145 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.56 -38.25 83.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.693 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 611' ' ' ASP . 5.4 mt-10 -67.8 -37.25 81.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.752 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -42.88 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.559 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.591 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.5 pt -72.42 -26.18 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.16 33.33 2.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.172 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -66.91 145.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 622' ' ' LYS . 11.0 t70 -65.45 129.34 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -59.48 -37.85 79.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.95 28.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 112.108 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.626 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 7.7 mtpt -125.68 -5.7 6.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 14.4 tp -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.729 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.23 95.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.14 -35.13 79.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.626 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -65.28 -44.7 87.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.717 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.115 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.01 -49.88 68.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.254 0.549 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.053 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.879 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.9 OUTLIER -63.62 -48.89 75.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.727 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.64 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.5 mm? -59.95 -44.35 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -60.53 -39.44 87.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.809 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.772 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.0 t80 -61.42 -43.99 97.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.623 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.85 -38.25 87.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 17.8 mmt180 -61.14 -45.62 93.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.149 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.9 mt -68.83 -45.55 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.706 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.66 82.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.111 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.99 -35.46 78.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.327 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.082 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.1 mtm -66.06 -34.98 79.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.44 0.638 . . . . 0.0 109.597 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -6.08 41.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.157 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 543' ' ' THR . 2.3 tp -78.76 123.45 85.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.677 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.46 -0.476 0 C-N-CA 122.95 2.433 . . . . 0.0 111.764 179.015 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.64 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.4 p90 . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 1.3 m -74.02 129.32 37.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -88.3 149.27 23.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.332 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -136.97 143.4 42.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.966 0.413 . . . . 0.0 110.96 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 126.94 36.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.5 tp -107.25 148.28 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 119.79 31.1 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.2 mm? -121.63 120.81 35.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.209 -178.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.55 157.57 26.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -53.1 -40.88 64.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 118.992 0.814 . . . . 0.0 112.444 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.83 90.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.822 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.54 -31.75 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 0.0 110.939 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.773 ' HE1' HD13 ' A' ' 535' ' ' LEU . 78.4 t80 -56.98 -51.67 68.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.735 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 1.058 HG22 ' HG ' ' B' ' 642' ' ' LEU . 4.5 p -63.84 -35.53 80.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -65.46 -44.72 86.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.414 HG21 HD11 ' B' ' 537' ' ' LEU . 54.5 t -71.34 -46.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' B' ' 642' ' ' LEU . 78.7 t -59.82 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.0 -37.08 85.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.655 ' HZ ' ' HD2' ' A' ' 544' ' ' LYS . 1.0 OUTLIER -58.63 -48.79 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.5 mt -71.52 -32.58 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.78 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 1.7 mmm-85 -63.99 -43.96 94.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -34.79 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.844 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.689 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.651 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -72.96 -55.26 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.062 0.458 . . . . 0.0 109.825 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.458 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 2.5 t -100.31 110.12 58.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' B' ' 555' ' ' VAL . 2.9 Cg_endo -46.88 127.16 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.077 2.518 . . . . 0.0 113.355 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 25.29 0.51 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.37 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -108.95 162.06 14.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.415 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . 0.519 ' HB ' ' CD1' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -64.85 -33.19 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.519 ' CD1' ' HB ' ' B' ' 559' ' ' THR . 1.5 p-90 -155.72 -167.77 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.199 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.506 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.9 OUTLIER 76.62 130.35 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.944 0.778 . . . . 0.0 110.874 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 4.3 Cg_exo -77.05 68.93 7.23 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.156 2.571 . . . . 0.0 111.541 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -35.08 80.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.657 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 565' ' ' VAL . 1.6 pm0 -58.51 -50.11 74.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.497 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 8.3 p -73.14 -29.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.781 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.39 -40.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.438 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.526 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.576 . . . . 0.0 110.218 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -83.15 -15.29 51.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.96 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' B' ' 566' ' ' VAL . 56.1 mt -74.47 133.25 31.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.316 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -88.71 117.84 68.73 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.612 ' HD2' HD13 ' B' ' 570' ' ' LEU . 27.0 Cg_endo -62.0 7.36 0.13 Allowed 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 123.012 2.475 . . . . 0.0 113.144 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.9 p -89.15 -17.28 29.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.27 -25.01 39.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.432 0.634 . . . . 0.0 110.496 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 123.69 -125.05 5.75 Favored Glycine 0 N--CA 1.437 -1.297 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -131.69 -10.65 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.995 0.397 . . . . 0.0 111.495 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 0.2 OUTLIER -55.53 -39.48 70.58 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.496 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -63.46 -37.67 88.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.553 179.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.05 -41.81 94.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.31 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -42.29 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.49 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -60.96 -40.16 92.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.12 83.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.148 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -86.23 8.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.05 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.24 34.27 10.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.451 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -78.63 -68.26 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.193 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.2 -62.41 2.59 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -89.47 -16.58 30.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.9 OUTLIER -62.12 -24.86 67.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.555 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -58.23 -25.37 61.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.123 0.487 . . . . 0.0 110.375 179.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.44 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -61.41 -33.97 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.295 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' B' ' 616' ' ' ILE . 0.7 OUTLIER -67.92 -37.99 82.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 80.1 m-85 -66.71 -39.12 87.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.597 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.625 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.64 97.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.372 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.846 ' HB2' HG22 ' B' ' 616' ' ' ILE . 24.3 t30 -83.11 -11.18 58.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.812 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.32 31.42 9.67 Favored Glycine 0 CA--C 1.508 -0.372 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.009 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 2.7 mt -109.64 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 120.756 0.312 . . . . 0.0 111.341 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -154.92 13.02 0.39 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.19 173.15 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.94 145.51 31.22 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.259 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.5 -38.18 2.46 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.315 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' B' ' 604' ' ' ARG . 4.8 t70 -62.31 -44.19 97.07 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.683 0.393 . . . . 0.0 111.639 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.41 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -62.16 -41.69 98.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.41 HD12 ' SD ' ' B' ' 602' ' ' MET . 1.1 mp -68.46 -40.0 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -62.1 -41.15 97.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.97 -35.67 78.76 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.572 ' HA ' HD11 ' B' ' 612' ' ' ILE . 27.7 t80 -68.75 -37.67 79.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 0.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.2 -45.29 88.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.246 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.73 -38.2 33.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.712 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -119.9 128.42 53.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.734 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.96 3.59 44.43 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.07 22.18 11.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.23 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.798 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -49.44 -58.96 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.61 -41.56 81.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.765 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.13 81.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.274 0.559 . . . . 0.0 110.572 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -66.55 -42.13 87.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' B' ' 594' ' ' ASN . 45.7 pt -71.9 -24.02 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.39 21.96 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.094 -1.05 . . . . 0.0 114.306 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.428 ' CG1' HD11 ' B' ' 616' ' ' ILE . 14.7 mm -66.14 144.47 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.85 124.98 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.792 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.8 OUTLIER -57.97 -29.17 65.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.345 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.28 60.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.913 0.387 . . . . 0.0 111.314 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -117.07 -7.27 11.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.5 tp -54.05 -44.41 71.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.636 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -47.89 83.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.233 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.422 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 1.7 tttt -67.88 -38.42 83.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.405 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 3.1 m-85 -65.24 -48.3 73.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.66 -32.7 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.28 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.38 -51.23 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.588 . . . . 0.0 109.415 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.01 81.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.708 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.798 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.5 t80 -60.25 -49.93 75.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.169 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.4 mm? -62.87 -45.09 94.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.866 0.365 . . . . 0.0 110.519 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 17.5 m -63.89 -37.61 88.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.785 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.781 ' HD1' HG13 ' B' ' 566' ' ' VAL . 35.0 t80 -60.92 -42.6 98.43 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . 0.402 ' HE1' HG23 ' B' ' 603' ' ' ILE . 91.2 t80 -60.4 -41.44 93.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 23.8 mmt180 -61.79 -45.58 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.689 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.0 mt -62.12 -47.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.666 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.496 ' HB3' HE21 ' B' ' 637' ' ' GLN . 0.0 OUTLIER -57.66 -45.43 85.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.327 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.598 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -71.06 -35.54 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.975 -179.533 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.742 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.23 -25.35 65.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.568 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.9 mmt -66.24 -41.15 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.378 0.608 . . . . 0.0 110.067 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -6.28 39.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.76 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 1.058 ' HG ' HG22 ' B' ' 543' ' ' THR . 7.0 tp -54.53 116.46 10.91 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.154 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -81.42 72.09 6.57 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.814 2.342 . . . . 0.0 111.664 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.626 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 2.0 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.165 0.507 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.72 138.38 44.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.601 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.47 ' HE2' HD21 ' A' ' 631' ' ' LEU . 26.1 m-85 -101.06 132.52 46.45 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.316 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -115.19 126.26 54.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . 0.706 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -84.72 98.06 10.02 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.181 0.515 . . . . 0.0 110.369 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.44 145.94 27.89 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.185 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.16 120.11 31.83 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.1 mm? -119.4 126.76 52.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 156.1 39.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -33.03 64.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.555 0.616 . . . . 0.0 112.498 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.43 66.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.89 -30.7 35.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.133 0.492 . . . . 0.0 111.671 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.637 ' CE1' HD13 ' B' ' 535' ' ' LEU . 72.4 t80 -55.04 -45.78 75.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.249 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.2 p -67.33 -33.1 74.55 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.899 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -44.68 83.91 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.045 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.79 -43.2 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 111.473 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.0 t -60.08 -50.13 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.74 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -64.33 -39.06 93.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.406 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.553 ' HE2' HG22 ' B' ' 545' ' ' VAL . 4.7 t80 -58.49 -51.32 70.34 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.62 0.575 . . . . 0.0 111.295 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.576 ' HB3' ' NE ' ' A' ' 635' ' ' ARG . 19.8 mt -71.69 -26.22 62.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.786 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.89 75.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.7 mmt85 -63.24 -48.69 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.414 0.626 . . . . 0.0 110.181 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.12 -34.35 76.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.453 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.515 ' HB2' HH21 ' A' ' 635' ' ' ARG . . . -78.28 -17.79 56.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -82.82 -33.46 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.08 155.69 46.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.27 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.04 127.84 25.67 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.34 1.36 . . . . 0.0 108.649 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.51 -27.33 0.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -85.3 160.08 19.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.819 0.342 . . . . 0.0 110.531 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -68.63 -42.55 77.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.749 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.536 ' O ' ' HB ' ' A' ' 561' ' ' VAL . 15.1 p-90 -135.8 178.12 7.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.935 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.0 OUTLIER 80.72 121.05 0.03 OUTLIER Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 109.966 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 15.6 Cg_exo -68.63 84.24 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.24 2.627 . . . . 0.0 111.822 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -45.85 20.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.074 -178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.92 -49.99 73.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 569' ' ' ILE . 8.6 p -65.83 -31.8 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.681 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.83 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.91 -42.24 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.178 -179.539 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.641 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -73.53 -14.86 61.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.281 0.562 . . . . 0.0 110.283 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -16.56 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.4 mt -74.58 133.27 31.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.966 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.815 HD12 ' HD2' ' A' ' 571' ' ' PRO . 4.7 tp -89.03 115.52 63.84 Favored Pre-proline 0 N--CA 1.437 -1.097 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.815 ' HD2' HD12 ' A' ' 570' ' ' LEU . 18.6 Cg_endo -59.06 -1.68 0.93 Allowed 'Trans proline' 0 CA--C 1.522 -0.111 0 C-N-CA 123.018 2.478 . . . . 0.0 112.832 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 570' ' ' LEU . 63.4 p -79.5 -17.04 54.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.59 -15.59 54.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.773 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 110.21 -122.08 6.19 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.618 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -129.58 -4.0 4.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.4 -42.85 74.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.756 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.57 -37.84 80.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.935 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -63.2 -47.42 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.207 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.18 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.234 0.54 . . . . 0.0 109.723 179.101 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.7 m -60.59 -39.1 86.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.322 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.67 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.804 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.413 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 3.0 pt -94.48 9.09 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp 62.1 41.85 10.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.84 -15.64 58.22 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.115 -0.564 . . . . 0.0 114.254 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -110.01 -4.99 15.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.666 0.733 . . . . 0.0 111.672 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.572 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-20 -74.76 -23.67 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.12 -25.65 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.17 -33.51 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.659 178.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' A' ' 589' ' ' VAL . 0.6 OUTLIER -71.99 -40.23 68.71 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.068 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 84.5 m-85 -67.46 -41.95 83.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.958 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -58.45 -36.09 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.45 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.15 93.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.154 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.773 ' HB2' HG22 ' A' ' 616' ' ' ILE . 30.6 t30 -85.51 -9.91 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.811 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.56 25.65 27.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.292 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.618 HG22 ' CD2' ' A' ' 575' ' ' LEU . 4.4 mt -100.94 103.13 14.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.792 0.329 . . . . 0.0 111.291 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.64 17.61 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.72 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.39 171.75 10.19 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -80.67 133.97 35.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.427 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 85.25 -29.19 4.4 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.561 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -45.75 91.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.52 92.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -42.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -62.63 -40.47 97.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 6.3 mm-40 -67.57 -33.81 75.78 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.9 t80 -66.92 -40.16 87.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.996 0.427 . . . . 0.0 109.976 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.93 -49.8 48.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -17.15 56.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m-70 -123.61 -62.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 80.84 -30.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.01 0.819 . . . . 0.0 110.139 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -101.1 25.75 7.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.695 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -52.15 -59.75 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.698 -179.092 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 616' ' ' ILE . 3.0 m-85 -57.19 -38.42 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.235 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 623' ' ' LEU . 0.7 OUTLIER -66.95 -43.21 83.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.285 0.564 . . . . 0.0 110.574 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -70.05 -42.93 72.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.957 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.773 HG22 ' HB2' ' A' ' 594' ' ' ASN . 48.3 pt -66.43 -26.64 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.656 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.81 25.78 4.11 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.866 -1.159 . . . . 0.0 114.589 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.8 142.75 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.763 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 26.4 t70 -65.16 133.53 51.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.602 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.85 -29.07 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.294 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 -6.87 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.0 0.429 . . . . 0.0 111.123 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.763 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 12.7 mtpt -121.52 -6.83 9.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.96 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -53.97 -45.59 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -44.87 96.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.437 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -68.86 -36.9 78.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.496 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -69.47 -47.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 0.0 111.281 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 561' ' ' VAL . 1.3 tp10 -64.6 -49.58 70.56 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.025 0.441 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.89 80.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.831 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.18 -48.09 83.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.62 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.3 OUTLIER -59.02 -44.59 91.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.071 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.512 ' HB3' ' HB1' ' A' ' 553' ' ' ALA . 20.2 m -58.56 -41.75 86.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 566' ' ' VAL . 3.6 t80 -61.93 -46.34 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.406 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.96 -39.36 94.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.9 mtp180 -59.72 -45.5 91.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.748 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.5 mt -70.17 -44.23 78.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.69 -39.79 77.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.169 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 2.8 tp10 -71.64 -38.11 70.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.33 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.08 -38.39 85.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.486 0.66 . . . . 0.0 110.164 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -5.24 44.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.956 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -62.63 133.21 94.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--O 1.234 0.322 0 C-N-CA 122.6 2.2 . . . . 0.0 111.387 178.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.152 0.501 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.69 137.82 33.59 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.206 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -88.02 130.12 35.07 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -116.26 131.01 57.06 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.31 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 122.16 26.24 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.637 HD13 ' CE1' ' A' ' 542' ' ' TYR . 12.5 tp -112.49 134.49 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.62 120.88 32.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.247 0.546 . . . . 0.0 110.935 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.409 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -120.41 134.18 55.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.0 OUTLIER -76.27 154.82 34.86 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -56.97 -40.41 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.057 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.42 84.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.494 ' O ' HG23 ' B' ' 545' ' ' VAL . 13.4 mm-40 -81.43 -31.19 33.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 546' ' ' VAL . 84.9 t80 -56.43 -51.57 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.052 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.766 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.4 p -61.87 -33.89 75.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.013 0.435 . . . . 0.0 111.479 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -44.97 75.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.553 HG22 ' HE2' ' A' ' 548' ' ' PHE . 29.9 t -71.92 -42.79 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.568 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.4 t -59.66 -50.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.783 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.62 -37.34 87.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.508 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.1 t80 -59.35 -48.31 82.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.14 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.942 ' HB3' ' HD3' ' B' ' 635' ' ' ARG . 21.1 mt -71.39 -30.22 65.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.207 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.41 80.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.9 mmt180 -68.49 -40.19 81.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.662 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.2 -35.74 81.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.01 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.67 -26.05 44.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.618 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 636' ' ' ILE . 43.6 mttt -79.22 -38.79 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.461 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.93 156.71 34.83 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -70.7 125.14 11.35 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 N-CA-C 108.845 -1.252 . . . . 0.0 108.845 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 25.14 0.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.699 0.761 . . . . 0.0 110.382 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' B' ' 560' ' ' TRP . 47.7 m-85 -137.53 139.81 40.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.673 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -4.26 47.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.586 0.708 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.47 ' O ' ' HB ' ' B' ' 561' ' ' VAL . 26.3 p-90 -149.98 160.87 43.28 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 560' ' ' TRP . 1.0 OUTLIER 74.88 117.02 0.03 OUTLIER Pre-proline 0 C--O 1.238 0.472 0 CA-C-O 121.307 0.575 . . . . 0.0 110.253 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.524 ' HB2' HG12 ' B' ' 565' ' ' VAL . 12.9 Cg_exo -71.15 81.3 1.18 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.179 2.586 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.42 80.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.919 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.51 85.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 569' ' ' ILE . 8.6 p -71.64 -32.91 47.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.01 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.55 -41.57 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.467 -179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' B' ' 636' ' ' ILE . 0.3 OUTLIER -72.14 -21.9 61.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.443 0.639 . . . . 0.0 109.896 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -79.45 -15.16 58.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.036 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' B' ' 566' ' ' VAL . 69.5 mt -74.5 140.43 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.298 0.571 . . . . 0.0 111.289 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -98.5 117.54 64.53 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 176.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.632 ' O ' ' HB2' ' B' ' 599' ' ' MET . 27.8 Cg_endo -61.83 -2.9 3.14 Favored 'Trans proline' 0 C--N 1.336 -0.106 0 C-N-CA 122.468 2.112 . . . . 0.0 111.998 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.411 ' H ' ' C ' ' B' ' 570' ' ' LEU . 70.2 p -80.32 -14.42 58.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.045 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.4 OUTLIER -92.34 -1.89 56.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.081 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 107.08 -144.1 15.87 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -121.01 -8.4 9.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.12 71.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.719 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.38 -38.33 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -66.83 -42.63 85.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.649 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.78 -42.68 90.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.784 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 25.1 m -61.07 -38.87 87.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.316 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -55.82 -39.04 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 17.6 pt -99.21 6.77 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.47 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.29 43.06 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.92 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.557 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -95.05 47.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.995 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.41 63.29 2.61 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.561 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.36 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 0.0 109.208 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.432 ' HA ' ' CD2' ' B' ' 590' ' ' LEU . 2.3 m-20 -68.1 -23.65 64.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.43 -25.42 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.593 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.459 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -64.69 -34.02 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.328 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.459 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -63.01 -36.93 85.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.485 0.66 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' B' ' 618' ' ' ILE . 78.7 m-85 -67.61 -44.04 79.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.373 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.12 -36.92 76.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.014 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.11 97.95 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.796 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.541 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.4 t30 -81.48 -13.15 58.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.01 15.14 55.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.94 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.6 mt -88.93 101.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.282 . . . . 0.0 110.881 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.71 19.02 0.27 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.177 0.513 . . . . 0.0 109.966 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.8 171.31 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.584 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.632 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.83 133.05 35.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.307 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' B' ' 604' ' ' ARG . . . 87.2 -29.63 5.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.26 -43.95 98.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.569 0.223 . . . . 0.0 111.502 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -42.57 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.517 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.2 mp -69.12 -40.8 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.135 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.554 ' HG3' ' HE3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -61.08 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.389 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.547 ' HA ' ' OE1' ' B' ' 605' ' ' GLU . 1.1 mm-40 -68.04 -32.8 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.82 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.893 ' HA ' HD11 ' B' ' 612' ' ' ILE . 88.3 t80 -67.3 -38.91 85.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.078 0.466 . . . . 0.0 110.317 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.81 -42.36 61.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . 0.554 ' HE3' ' HG3' ' B' ' 604' ' ' ARG . 3.4 mtmp? -77.3 -31.96 55.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 3.8 m-70 -117.28 -62.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -176.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 84.13 -23.04 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.378 1.049 . . . . 0.0 110.196 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.42 25.86 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.609 . . . . 0.0 109.813 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -52.79 -57.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.01 -42.32 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.866 0.365 . . . . 0.0 111.271 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.568 ' HG3' HD21 ' B' ' 623' ' ' LEU . 3.9 mt-10 -65.73 -37.46 86.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.317 0.58 . . . . 0.0 110.156 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -69.14 -43.11 75.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.807 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' B' ' 594' ' ' ASN . 47.9 pt -72.38 -21.66 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.91 27.92 4.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.856 -1.164 . . . . 0.0 113.732 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.3 mm -67.03 145.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.479 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 16.5 t0 -64.87 121.48 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.317 . . . . 0.0 111.046 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 3.1 m -60.44 -30.29 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.033 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -14.62 63.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 27.9 mtpt -119.94 -1.93 10.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.705 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' B' ' 614' ' ' GLU . 0.5 OUTLIER -54.0 -44.42 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.775 -178.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.3 86.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.061 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.428 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -66.82 -38.84 87.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.7 m-85 -65.7 -50.83 63.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.38 -32.13 73.61 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.433 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' B' ' 561' ' ' VAL . 13.8 tp10 -62.33 -48.77 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.5 85.16 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.606 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.593 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -60.97 -47.65 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.102 178.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 635' ' ' ARG . 0.6 OUTLIER -61.5 -40.83 96.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 39.0 m -57.65 -46.16 84.55 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.746 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.61 ' HD1' HG13 ' B' ' 566' ' ' VAL . 0.9 OUTLIER -61.61 -42.16 98.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.562 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -66.94 -37.99 85.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.942 ' HD3' ' HB3' ' B' ' 549' ' ' LEU . 39.8 mtt180 -58.26 -45.7 87.33 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.399 0.619 . . . . 0.0 109.799 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.445 HG23 ' HE3' ' B' ' 554' ' ' LYS . 10.0 mt -71.1 -47.03 63.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -44.0 93.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.726 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.4 tp10 -64.19 -35.11 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.717 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -66.8 -22.42 66.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.51 -33.37 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -89.59 -10.68 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.42 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.766 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.0 tp -73.43 126.21 90.14 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.649 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -87.87 -140.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.891 2.394 . . . . 0.0 110.777 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.484 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.64 ' HE1' ' HB3' ' B' ' 538' ' ' SER . 1.6 t80 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.77 155.68 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.598 ' HE2' HD21 ' A' ' 631' ' ' LEU . 56.9 m-85 -121.14 152.16 39.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.27 130.46 26.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.849 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 133.98 39.66 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.94 0.4 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.47 147.1 48.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . 0.623 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -91.21 122.02 33.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -104.98 133.36 49.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.778 -178.261 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -71.7 158.29 36.4 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -50.87 70.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.0 78.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.114 0.483 . . . . 0.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.66 -30.35 64.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.688 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.643 ' HA ' HD12 ' A' ' 537' ' ' LEU . 53.6 t80 -56.22 -50.92 69.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.102 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 1.03 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.4 p -68.65 -34.22 75.34 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.34 -44.52 87.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.897 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.461 HG22 HD11 ' B' ' 549' ' ' LEU . 53.9 t -71.96 -44.65 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.805 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.0 t -59.77 -49.61 83.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.031 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -65.82 -32.75 74.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.95 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.568 ' HE2' HG22 ' B' ' 545' ' ' VAL . 0.8 OUTLIER -60.79 -47.3 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.039 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.6 mt -71.3 -27.99 63.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.055 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.6 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 7.8 mmt-85 -68.34 -36.47 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.56 -40.38 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.139 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.31 -20.05 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.169 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -83.87 -49.28 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 32.6 t -92.79 115.57 65.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.87 128.39 17.76 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.557 2.171 . . . . 0.0 112.72 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 40.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -117.76 161.64 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.428 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -113.22 -1.77 14.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 1.8 p -104.04 113.0 65.69 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.444 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.484 ' O ' HG12 ' A' ' 565' ' ' VAL . 4.5 Cg_endo -86.32 75.9 2.75 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.336 2.691 . . . . 0.0 110.805 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -60.16 -22.54 63.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.81 -38.22 69.69 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.5 p -80.3 -28.2 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.473 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -68.76 -37.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.571 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.94 -14.83 61.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 109.829 178.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.57 -18.71 30.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.333 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.727 HG12 ' HD2' ' A' ' 577' ' ' ARG . 42.2 mt -76.52 141.99 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.367 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.687 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.8 OUTLIER -97.79 124.08 49.36 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.687 ' HD2' HD13 ' A' ' 570' ' ' LEU . 34.9 Cg_endo -67.9 19.19 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.578 2.185 . . . . 0.0 111.862 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 66.7 p -109.21 -14.31 14.51 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.806 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.68 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 1.1 mt-10 -86.84 -43.94 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 142.46 -166.33 26.49 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -94.36 -8.37 39.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 110.099 179.445 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -44.53 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.205 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.727 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.1 -37.37 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.668 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -62.04 -44.7 96.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.948 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -65.22 -39.97 93.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 50.4 m -61.32 -38.72 87.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.546 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -58.17 -33.56 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.269 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.1 6.99 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 43.82 4.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.203 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.794 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -115.17 45.75 1.58 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.936 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -60.63 -27.98 67.11 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.757 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -84.78 -27.13 27.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.041 0.448 . . . . 0.0 111.407 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 26.5 m-20 -74.32 -22.96 59.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.169 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.99 -25.2 60.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.441 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.83 -33.71 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.385 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -64.52 -35.57 81.39 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.532 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.633 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 57.1 m-85 -67.73 -41.65 83.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.708 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.57 -35.83 70.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.718 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.31 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.739 ' HB2' HG22 ' A' ' 616' ' ' ILE . 9.3 t30 -79.21 -13.3 59.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.7 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.92 11.57 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.671 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 2.0 mt -108.24 101.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.585 -0.308 . . . . 0.0 110.8 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.89 8.74 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.879 0.371 . . . . 0.0 110.803 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 172.62 6.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.437 0.637 . . . . 0.0 112.536 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.617 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.29 137.75 35.77 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.644 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.04 -19.55 7.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' ' 604' ' ' ARG . 2.2 t0 -60.43 -45.26 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.15 0.58 . . . . 0.0 110.676 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.67 -40.19 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.388 -179.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.403 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -68.52 -42.44 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 109.858 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -63.06 -41.59 99.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.652 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.61 -34.93 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.644 ' HA ' HD11 ' A' ' 612' ' ' ILE . 57.6 t80 -66.93 -38.62 86.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.469 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.93 -39.46 69.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -72.63 -36.43 68.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.774 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -120.04 -134.46 0.32 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.0 -29.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.09 28.99 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.754 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.644 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -55.22 -63.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.692 -178.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -57.67 -38.56 75.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 0.0 111.352 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -45.3 80.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.867 0.365 . . . . 0.0 111.277 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -68.15 -40.34 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.623 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.739 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.9 pt -67.26 -25.46 33.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.613 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.89 24.82 4.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.145 -1.026 . . . . 0.0 114.29 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.2 mm -66.34 145.85 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.3 t0 -65.12 124.41 22.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.675 0.274 . . . . 0.0 110.664 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.73 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.684 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -15.97 62.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.205 0.526 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.545 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 17.2 mtpt -120.92 -4.27 9.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.441 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.73 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.3 tp -53.83 -44.19 70.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.767 -177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -43.5 94.92 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.224 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.582 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.82 -37.3 81.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.461 . . . . 0.0 110.884 -179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.582 ' HE1' ' HE2' ' A' ' 625' ' ' LYS . 2.1 m-30 -67.85 -48.03 67.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.223 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.12 -35.27 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.403 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -46.67 89.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 110.158 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.9 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -59.09 -49.99 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.947 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.598 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.0 mm? -66.02 -42.99 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 20.4 m -58.33 -46.24 86.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.663 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -40.54 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -59.48 -37.5 78.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.026 0.441 . . . . 0.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -40.88 74.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.571 HD13 ' HB3' ' A' ' 567' ' ' SER . 89.8 mt -59.58 -45.84 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.094 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.64 -40.65 79.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.866 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -73.46 -39.47 64.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.191 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.766 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.99 -25.36 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.682 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.1 mtt -67.05 -37.79 84.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -6.52 35.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.48 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 1.03 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -63.27 127.76 91.5 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.014 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 N--CA 1.456 -0.729 0 C-N-CA 123.293 2.662 . . . . 0.0 111.631 178.574 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 121.388 0.613 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 2.8 m -150.6 152.27 33.81 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.949 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.416 ' HE2' HD21 ' B' ' 631' ' ' LEU . 27.5 m-85 -104.91 147.16 28.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.6 0.714 . . . . 0.0 112.641 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -137.91 132.11 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.372 178.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . 0.623 HG23 HG23 ' A' ' 536' ' ' THR . 0.0 OUTLIER -73.68 115.23 12.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.604 0.716 . . . . 0.0 111.911 -178.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 13.4 tp -98.01 149.26 22.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.21 118.89 31.77 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 111.053 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 141.59 51.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.64 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -89.68 158.34 17.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -45.25 94.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 119.173 0.897 . . . . 0.0 111.55 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.66 87.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.35 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.445 ' O ' HG23 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -77.29 -32.19 55.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.323 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.63 -50.33 72.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.851 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.566 HG22 ' HG ' ' B' ' 642' ' ' LEU . 26.1 p -61.8 -35.14 77.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.34 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -65.52 -44.58 86.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.568 HG22 ' HE2' ' A' ' 548' ' ' PHE . 39.7 t -70.31 -43.28 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' B' ' 642' ' ' LEU . 42.3 t -59.52 -49.73 82.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.41 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.204 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.618 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.1 t80 -59.17 -49.89 76.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.206 0.527 . . . . 0.0 110.418 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.618 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 5.6 mt -72.01 -28.18 63.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.26 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.2 mmt180 -66.34 -48.37 70.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.059 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.4 -39.87 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.423 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.94 -19.45 57.35 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -88.95 -21.55 23.5 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.249 -0.282 . . . . 0.0 111.718 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' B' ' 556' ' ' PRO . 3.5 m -111.21 159.84 31.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.322 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' B' ' 555' ' ' VAL . 27.9 Cg_endo -65.66 128.18 19.51 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.589 1.526 . . . . 0.0 108.613 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -163.51 -38.97 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.058 0.456 . . . . 0.0 111.079 -177.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -100.9 124.01 45.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.907 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.33 -44.74 10.01 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -69.24 -24.47 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.12 121.78 25.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.463 ' HB2' HG12 ' B' ' 565' ' ' VAL . 90.6 Cg_endo -79.3 72.81 6.32 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.84 2.36 . . . . 0.0 113.147 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -27.6 54.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.5 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -59.42 -44.96 92.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 -179.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 569' ' ' ILE . 12.7 p -74.69 -26.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.122 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.805 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.0 OUTLIER -65.51 -41.27 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.934 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.666 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.53 -21.12 61.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.384 0.611 . . . . 0.0 109.846 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.92 -18.28 50.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.929 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 566' ' ' VAL . 60.2 mt -74.63 135.38 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.7 OUTLIER -86.43 117.1 68.13 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.67 ' O ' ' HB2' ' B' ' 599' ' ' MET . 41.5 Cg_endo -68.6 22.46 0.14 Allowed 'Trans proline' 0 C--N 1.336 -0.119 0 C-N-CA 122.821 2.347 . . . . 0.0 111.946 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' B' ' 570' ' ' LEU . 80.7 p -111.07 -7.87 14.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.84 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' B' ' 577' ' ' ARG . 0.0 OUTLIER -96.92 -34.08 11.37 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 143.01 -147.36 18.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.609 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -118.79 -1.57 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.754 0.311 . . . . 0.0 110.303 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 6.3 pt-20 -60.29 -39.67 87.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.274 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -67.03 -37.79 84.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.969 0.414 . . . . 0.0 110.083 178.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.88 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.818 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -42.84 91.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.831 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.3 m -60.2 -40.62 90.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.524 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.53 86.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.039 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' B' ' 626' ' ' TYR . 10.9 pt -91.81 8.0 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.867 -178.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 62.51 39.48 11.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -87.17 45.67 1.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.01 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.14 54.17 2.25 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.288 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -178.15 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.404 0.621 . . . . 0.0 109.38 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 6.2 m-20 -66.85 -24.46 66.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.364 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.66 -26.4 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.864 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -61.7 -34.12 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.19 -36.94 84.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.933 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.508 ' CE1' HD11 ' B' ' 618' ' ' ILE . 86.6 m-85 -68.07 -44.69 75.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.539 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.86 88.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.805 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.425 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.8 t30 -83.65 -10.05 58.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.339 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.98 15.92 55.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.968 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 7.4 mt -96.68 84.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.614 -0.293 . . . . 0.0 110.85 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -131.83 11.19 4.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.992 0.425 . . . . 0.0 110.274 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.63 168.81 9.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.368 0.604 . . . . 0.0 112.074 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.67 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.06 137.33 34.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.972 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.34 -23.63 5.34 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.535 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -39.75 84.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.68 -43.08 94.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.476 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.436 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.9 mt -67.88 -41.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.421 ' HG2' ' HD2' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -60.42 -46.84 88.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.701 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.85 -33.35 75.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.156 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.934 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.5 t80 -63.36 -41.3 98.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.54 -43.36 90.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.633 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.552 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 88.7 m-70 -119.06 -71.94 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 0.1 OUTLIER 103.31 -36.91 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.455 1.502 . . . . 0.0 110.587 -179.086 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.5 43.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.702 0.763 . . . . 0.0 109.093 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -59.87 -51.96 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.906 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.478 ' HB2' ' CZ ' ' B' ' 627' ' ' TYR . 2.5 m-85 -57.93 -42.18 84.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -39.94 93.35 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.421 0.629 . . . . 0.0 110.214 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.55 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.956 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.07 -24.37 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.41 33.5 2.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.079 -1.058 . . . . 0.0 113.775 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.6 mm -66.75 145.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 117.206 0.503 . . . . 0.0 110.143 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.14 122.66 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.473 . . . . 0.0 110.526 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.647 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.2 m -65.26 -21.27 66.71 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -17.08 63.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.192 0.52 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.717 ' HB3' ' HD3' ' B' ' 625' ' ' LYS . 0.1 OUTLIER -129.23 2.18 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.086 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -53.16 -44.16 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.045 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.09 83.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.319 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.717 ' HD3' ' HB3' ' B' ' 622' ' ' LYS . 0.0 OUTLIER -64.04 -34.26 77.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.562 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.6 m-85 -64.6 -51.16 64.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 21.6 m-85 -65.03 -33.27 75.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.239 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.73 -49.36 75.34 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.05 86.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.009 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.663 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.8 OUTLIER -59.6 -49.88 76.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.379 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.3 OUTLIER -61.28 -44.15 97.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.501 . . . . 0.0 110.213 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.513 ' HA ' ' HE ' ' B' ' 635' ' ' ARG . 50.4 m -61.59 -42.98 99.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.51 96.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.53 -39.04 93.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH1' HD13 ' B' ' 549' ' ' LEU . 0.2 OUTLIER -65.46 -46.02 81.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.469 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.666 HD13 ' HB3' ' B' ' 567' ' ' SER . 24.8 mt -60.32 -41.87 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.439 0.638 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -46.21 89.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.467 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -37.01 85.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.351 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.46 -26.58 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.243 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -37.16 84.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.419 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -5.4 50.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.392 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.2 tp -68.82 125.83 92.22 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.726 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.27 49.83 2.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.927 2.418 . . . . 0.0 111.656 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.15 -179.583 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 121.017 0.437 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.84 146.04 33.91 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.01 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.528 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 22.0 m-85 -105.13 132.43 51.35 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.44 126.11 44.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 123.16 29.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.12 0.486 . . . . 0.0 110.698 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.52 HD13 ' HE1' ' B' ' 542' ' ' TYR . 12.2 tp -109.34 145.52 35.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.97 122.28 34.34 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.121 0.486 . . . . 0.0 109.916 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.452 ' CB ' ' HD1' ' A' ' 542' ' ' TYR . 1.6 mm? -118.35 130.11 55.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.436 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.457 ' HB2' ' CD1' ' B' ' 530' ' ' TYR . 95.8 p -75.86 157.16 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.65 -29.06 58.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.54 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.21 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -83.4 -30.05 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.712 179.371 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.55 ' CE1' HD13 ' B' ' 535' ' ' LEU . 62.1 t80 -54.2 -50.41 67.16 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.982 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.919 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.0 p -67.58 -33.76 75.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -65.84 -44.0 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.522 HG22 ' HE2' ' B' ' 548' ' ' PHE . 60.6 t -71.64 -43.74 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 111.827 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.5 t -60.4 -51.11 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.241 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.84 -33.16 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.4 t80 -60.63 -50.85 71.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' B' ' 544' ' ' LYS . 16.6 mt -70.79 -29.76 66.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.327 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.31 77.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.6 mmt85 -63.6 -46.07 87.45 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.381 0.61 . . . . 0.0 109.47 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 552' ' ' GLU . 2.4 mm-40 -69.04 -39.76 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -67.66 -22.91 65.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.12 -20.76 60.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.352 0.596 . . . . 0.0 110.631 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.73 159.79 37.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.337 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -75.22 123.93 8.12 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 N-CA-C 108.537 -1.37 . . . . 0.0 108.537 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 56.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.401 0.619 . . . . 0.0 110.675 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -132.73 162.13 32.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.163 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -58.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -153.29 52.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.176 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.9 p -158.94 121.21 1.93 Allowed Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.871 0.367 . . . . 0.0 111.032 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 5.2 Cg_exo -75.33 99.67 1.29 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.103 2.536 . . . . 0.0 111.374 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.71 -10.51 59.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.788 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.02 -50.62 70.39 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.6 p -70.06 -29.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.52 -40.12 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.608 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.536 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.26 -16.8 61.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.536 0.684 . . . . 0.0 109.906 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.33 -12.03 58.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.215 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.8 HG12 ' HD2' ' A' ' 577' ' ' ARG . 26.8 mt -83.4 134.92 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.696 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -90.31 117.15 67.8 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.696 ' HD2' HD13 ' A' ' 570' ' ' LEU . 56.2 Cg_endo -69.46 28.4 0.17 Allowed 'Trans proline' 0 N--CA 1.471 0.181 0 C-N-CA 123.026 2.484 . . . . 0.0 112.594 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 570' ' ' LEU . 67.3 p -110.45 -16.76 13.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.2 -36.16 14.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.981 0.42 . . . . 0.0 110.634 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 146.52 -144.43 12.72 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.029 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.545 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -116.1 -5.38 11.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.785 0.326 . . . . 0.0 110.523 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -44.48 81.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.537 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.8 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.86 -37.94 89.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.466 ' HA ' HD13 ' A' ' 569' ' ' ILE . 51.3 t80 -62.3 -42.29 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.957 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -45.42 86.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.944 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 29.7 m -60.52 -37.89 82.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 110.652 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -59.88 -40.71 89.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 626' ' ' TYR . 18.3 pt -96.87 9.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 65.85 40.24 4.31 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.326 0.584 . . . . 0.0 111.288 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -99.26 47.74 0.96 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.248 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.65 52.83 3.2 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.833 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.02 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 109.824 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.587 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 5.1 m-20 -68.28 -23.24 64.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.979 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -57.77 -25.76 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.508 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.21 -33.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.349 0.595 . . . . 0.0 110.127 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.35 -37.91 86.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.996 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 73.6 m-85 -67.53 -42.67 82.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.35 -40.31 74.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.286 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.85 98.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.631 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.588 ' HB2' HG22 ' A' ' 616' ' ' ILE . 6.5 t30 -82.22 -10.75 59.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.2 17.32 53.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.027 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.545 HG22 ' CD2' ' A' ' 575' ' ' LEU . 7.9 mt -95.58 87.35 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.789 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.01 15.26 3.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.923 0.392 . . . . 0.0 110.634 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 167.99 11.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.434 0.635 . . . . 0.0 112.127 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.681 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.21 133.68 35.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.584 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.63 -29.56 6.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.997 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -37.19 83.87 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.47 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.927 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.411 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.2 mp -69.68 -43.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 109.716 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.43 -46.55 89.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 4.6 mm-40 -65.97 -33.83 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.757 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.784 ' HA ' HD11 ' A' ' 612' ' ' ILE . 8.0 t80 -64.88 -42.1 95.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.451 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -75.32 -37.29 60.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.091 0.472 . . . . 0.0 110.615 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -78.17 -32.04 49.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 25.7 m-70 -110.63 -53.29 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.01 -32.2 0.1 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.931 0.893 . . . . 0.0 111.147 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -108.7 31.54 5.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.2 OUTLIER -52.58 -58.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.864 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -57.97 -41.02 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.537 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.97 -35.51 78.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.474 0.654 . . . . 0.0 110.041 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -69.82 -43.06 72.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.443 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.8 pt -72.73 -26.5 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.476 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.37 34.29 2.33 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.056 -1.068 . . . . 0.0 114.098 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.18 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.041 0.421 . . . . 0.0 110.12 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -64.27 121.0 13.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.325 0.583 . . . . 0.0 110.506 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.8 OUTLIER -58.73 -31.88 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 113.22 -178.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -17.41 58.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.474 ' HB3' ' HE2' ' A' ' 625' ' ' LYS . 6.6 mtmm -132.63 3.36 3.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.948 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 3.4 tp -53.33 -44.19 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -45.13 92.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.72 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -62.25 -36.41 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-30 -67.64 -46.09 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.489 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -64.62 -38.92 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.453 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -47.49 85.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.853 0.359 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.27 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.97 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -56.63 -44.73 81.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.819 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.528 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 1.9 mm? -63.5 -44.87 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.013 0.435 . . . . 0.0 111.561 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -39.55 94.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.2 t80 -60.16 -46.65 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.89 89.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.4 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.417 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.5 mt -63.15 -48.31 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.626 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.547 ' HG2' ' HE2' ' A' ' 641' ' ' LYS . 6.2 tt0 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.8 -37.5 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -66.42 -29.78 70.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.522 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.0 mmt -71.43 -32.13 68.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.317 0.58 . . . . 0.0 109.873 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.79 -6.0 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.507 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.919 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.03 138.61 97.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.959 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 122.539 2.16 . . . . 0.0 110.961 178.236 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.469 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 143.58 57.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.166 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.785 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 17.9 m-85 -87.93 145.99 25.76 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.068 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -126.25 142.21 51.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.504 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.41 123.28 31.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.082 0.468 . . . . 0.0 111.786 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 542' ' ' TYR . 13.7 tp -110.5 142.37 42.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.531 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 120.45 32.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 545' ' ' VAL . 0.7 OUTLIER -122.2 124.08 42.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.04 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.87 157.16 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.47 48.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.49 74.95 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.45 -30.28 42.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 111.256 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.52 ' HE1' HD13 ' A' ' 535' ' ' LEU . 75.3 t80 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.292 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.743 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.7 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 111.137 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . 0.593 ' HD3' HD21 ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.88 -42.5 90.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.498 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.489 HG21 HD11 ' B' ' 537' ' ' LEU . 41.4 t -70.48 -44.63 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.7 t -60.3 -50.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.627 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.76 -37.02 85.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.897 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.6 -50.86 71.76 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.366 0.416 . . . . 0.0 111.286 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -69.44 -31.26 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.76 73.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.758 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 22.1 mmt85 -66.71 -44.84 80.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.713 0.292 . . . . 0.0 110.528 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.48 -32.22 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.356 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.129 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 14.8 mtmt -76.61 -62.26 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.96 122.23 68.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -45.07 124.96 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.664 2.242 . . . . 0.0 113.149 -177.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -142.08 14.84 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.73 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.1 160.49 22.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.689 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.34 -40.26 4.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -103.19 -0.47 30.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.4 p -131.64 117.08 16.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.074 0.464 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.12 85.87 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.879 2.386 . . . . 0.0 112.048 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -20.13 34.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 7.7 pm0 -59.22 -33.53 71.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.906 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.3 p -81.11 -28.05 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.433 . . . . 0.0 110.207 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.803 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.89 -39.58 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.062 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.493 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -73.79 -13.74 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.383 0.611 . . . . 0.0 110.302 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -14.71 51.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.013 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 8.2 mt -83.54 141.35 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.051 0.453 . . . . 0.0 111.478 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -91.08 119.12 68.88 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' B' ' 599' ' ' MET . 54.7 Cg_endo -68.5 24.97 0.14 Allowed 'Trans proline' 0 N--CA 1.473 0.284 0 C-N-CA 123.123 2.549 . . . . 0.0 112.625 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.501 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.4 p -109.13 -10.92 14.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 -48.11 6.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.62 -143.47 9.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.6 -5.45 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.786 0.293 . . . . 0.0 111.058 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -43.06 75.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 111.357 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.465 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.65 -37.16 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.13 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -64.72 -44.77 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.789 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -64.07 -42.24 97.04 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.6 m -61.4 -37.89 85.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.073 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.91 -40.07 72.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.797 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -99.17 8.79 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.363 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 43.75 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.703 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.728 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -103.15 41.38 1.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.904 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.35 68.02 1.8 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.569 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -178.2 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.684 0.754 . . . . 0.0 109.221 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.08 -21.66 59.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.923 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.593 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.59 -25.87 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.842 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.483 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -60.16 -33.88 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.221 0.534 . . . . 0.0 110.16 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.483 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.35 -38.93 92.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.268 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.593 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 80.0 m-85 -68.8 -44.08 74.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.296 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.94 -39.81 78.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.14 86.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.132 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.44 ' HB3' HG13 ' B' ' 596' ' ' ILE . 3.8 t30 -83.06 -13.67 55.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.3 43.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.028 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.7 mt -97.32 107.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -167.7 25.99 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.318 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.12 171.4 10.88 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.458 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.659 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.91 132.82 35.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.594 179.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.23 -32.62 2.52 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -46.0 90.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.066 0.546 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.73 91.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -39.66 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' B' ' 605' ' ' GLU . 0.1 OUTLIER -62.67 -41.13 98.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 179.159 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' B' ' 604' ' ' ARG . 0.5 OUTLIER -66.47 -35.48 80.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.739 ' HA ' HD11 ' B' ' 612' ' ' ILE . 21.7 t80 -66.22 -38.59 88.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.28 -38.91 71.8 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.447 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -78.37 -39.83 38.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.083 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.47 -38.72 7.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 74.5 -49.55 0.67 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.024 0.53 . . . . 0.0 111.499 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.57 45.65 0.96 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.965 0.888 . . . . 0.0 108.897 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.832 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -57.16 -54.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.69 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.428 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.6 m-85 -57.54 -37.41 73.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 110.277 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -41.45 92.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -42.96 72.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.524 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.8 pt -70.33 -21.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 108.43 30.27 3.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.941 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' B' ' 591' ' ' PHE . 18.9 mm -66.13 146.61 13.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -63.67 120.65 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.113 0.482 . . . . 0.0 110.058 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.4 OUTLIER -54.64 -37.29 65.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.029 -178.258 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -13.25 47.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 111.817 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 15.5 mtpt -125.15 -1.56 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.73 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 14.4 tp -54.64 -45.49 73.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.754 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -42.65 99.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.631 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.513 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 2.6 tttt -65.64 -36.74 84.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.513 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.8 m-30 -68.89 -45.91 69.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.4 -36.5 82.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.74 -49.89 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.371 0.605 . . . . 0.0 109.759 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.19 -41.97 80.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.619 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.832 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.4 t80 -57.99 -49.47 76.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.86 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.785 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 3.2 mm? -63.9 -43.6 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.561 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 37.5 m -61.5 -40.88 96.2 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.082 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.803 ' HD1' HG13 ' B' ' 566' ' ' VAL . 25.9 t80 -63.33 -44.44 94.89 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.25 -39.58 87.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.899 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.459 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -65.01 -44.23 89.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.196 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.556 HD11 ' HB1' ' B' ' 553' ' ' ALA . 54.2 mt -62.3 -44.92 99.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.44 -40.9 96.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -63.41 -28.65 70.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.472 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.54 0.686 . . . . 0.0 109.79 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.42 -5.26 43.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.044 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.743 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.6 tp -69.21 134.31 89.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.465 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.04 -158.0 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.8 2.333 . . . . 0.0 111.105 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.869 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.526 ' HD1' ' HE1' ' A' ' 532' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 121.105 0.478 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.22 133.09 43.13 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.121 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.526 ' HE1' ' HD1' ' A' ' 530' ' ' TYR . 13.7 m-30 -90.48 129.23 36.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.409 0.623 . . . . 0.0 110.937 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -113.45 125.37 54.15 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.838 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . 0.468 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.71 105.15 12.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.83 0.348 . . . . 0.0 110.255 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -104.86 147.62 27.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.18 126.86 36.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -114.38 137.7 51.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.195 -178.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.495 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -81.71 157.99 24.38 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -46.78 60.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.35 82.56 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -79.49 -30.88 42.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.74 0.305 . . . . 0.0 111.339 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 546' ' ' VAL . 77.9 t80 -55.91 -51.18 68.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 1.027 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.1 p -67.52 -34.5 77.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.179 0.514 . . . . 0.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . 0.404 ' HG3' ' HZ ' ' B' ' 548' ' ' PHE . 7.3 tptm -66.16 -44.78 83.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.632 HG22 ' HE2' ' B' ' 548' ' ' PHE . 59.2 t -71.21 -43.07 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.072 0.463 . . . . 0.0 111.68 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 642' ' ' LEU . 54.7 t -60.2 -50.54 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.175 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.7 OUTLIER -69.33 -34.07 74.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.555 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.559 ' HZ ' ' HE2' ' B' ' 544' ' ' LYS . 8.8 t80 -59.7 -51.87 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 110.894 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -72.68 -26.3 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.0 73.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.5 mmt85 -65.86 -43.12 89.37 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -44.06 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -65.11 -21.29 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.967 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -79.8 -11.99 59.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 0.0 110.182 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.97 131.76 22.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.128 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 10.1 Cg_endo -54.71 128.82 31.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.539 2.159 . . . . 0.0 111.923 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -119.22 -13.45 9.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.946 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -130.72 160.71 33.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.957 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -45.23 8.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -40.65 60.63 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.157 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.519 HG23 HG22 ' A' ' 582' ' ' ILE . 3.4 p -104.19 105.96 51.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 0.0 110.394 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 561' ' ' VAL . 36.8 Cg_endo -67.84 110.61 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.64 2.226 . . . . 0.0 111.662 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -33.58 53.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.048 -178.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 8.0 tm0? -65.2 -45.9 82.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.9 p -61.47 -34.25 60.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.303 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.3 t -67.65 -39.99 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.901 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.624 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.08 -15.22 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.334 0.588 . . . . 0.0 109.689 178.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.74 -20.59 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.259 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 566' ' ' VAL . 40.7 mt -74.55 141.04 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.745 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -93.58 119.92 66.76 Favored Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.745 ' HD2' HD13 ' A' ' 570' ' ' LEU . 36.7 Cg_endo -67.88 16.73 0.14 Allowed 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.932 2.421 . . . . 0.0 112.394 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 570' ' ' LEU . 62.1 p -107.98 -0.63 21.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 2.5 mt-10 -100.15 -29.48 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.068 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 130.5 -159.73 22.91 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.487 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -105.09 1.23 28.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.236 0.541 . . . . 0.0 109.574 178.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -46.96 78.79 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.729 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.636 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.94 -37.46 78.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.728 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -58.79 -48.6 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -66.44 -32.47 73.87 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 54.1 m -64.35 -45.18 88.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.971 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.6 71.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.566 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.654 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.5 OUTLIER -93.65 5.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.454 -178.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 60.17 38.39 20.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.609 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -83.39 -89.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.71 -51.51 4.28 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.076 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -35.06 67.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.498 0.666 . . . . 0.0 110.914 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.01 -24.23 66.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.23 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.402 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -57.08 -24.52 54.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.918 0.389 . . . . 0.0 110.034 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.502 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -60.77 -34.44 59.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.967 178.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.502 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -70.02 -39.64 75.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.251 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.429 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 91.7 m-85 -67.21 -44.56 79.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.359 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.18 -38.77 80.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.108 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.59 95.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.09 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.681 ' HB2' HG22 ' A' ' 616' ' ' ILE . 7.6 t30 -80.43 -14.0 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.2 11.13 53.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.815 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.487 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -91.3 81.06 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.66 7.43 7.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.95 0.405 . . . . 0.0 110.303 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . 0.455 HG22 ' SD ' ' A' ' 599' ' ' MET . 0.2 OUTLIER -114.6 170.9 7.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -84.03 137.98 33.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.929 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.15 -27.61 4.46 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.007 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -37.81 82.7 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.32 -40.81 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.939 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.451 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mp -69.88 -42.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.036 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -59.51 -45.8 90.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.535 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.51 -32.84 74.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.066 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.487 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.2 t80 -66.36 -37.06 84.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.36 0.6 . . . . 0.0 110.516 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.95 -45.13 95.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.462 0.648 . . . . 0.0 109.378 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -79.55 -37.44 36.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 61.2 m-70 -125.98 140.32 52.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.525 ' ND2' ' HB2' ' A' ' 532' ' ' PHE . 0.8 OUTLIER -104.55 -5.3 21.64 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.47 25.14 11.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.814 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.4 OUTLIER -51.09 -57.45 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -61.09 -41.97 97.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.7 mt-10 -63.82 -38.86 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.243 0.544 . . . . 0.0 109.935 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -66.58 -42.81 86.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.584 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 594' ' ' ASN . 37.2 pt -71.42 -22.41 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.14 25.92 4.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.457 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 21.0 mm -66.87 137.57 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.82 135.74 54.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.907 0.384 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -63.46 -26.57 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.246 -179.051 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -14.26 62.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.172 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -124.92 -5.69 7.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 110.824 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.0 tp -54.07 -44.09 70.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.653 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -48.39 81.96 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -65.04 -37.78 88.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 0.0 110.725 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.654 ' HD1' HD12 ' A' ' 582' ' ' ILE . 19.9 m-85 -66.55 -49.42 66.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 5.7 m-85 -66.61 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.59 -50.76 70.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.346 0.593 . . . . 0.0 110.324 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.99 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.339 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.814 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -62.39 -49.88 73.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.54 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.551 HD12 ' NH2' ' A' ' 635' ' ' ARG . 3.5 mm? -64.51 -44.73 89.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.896 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.8 m -59.57 -42.45 92.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.811 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.508 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -63.07 -40.92 99.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.029 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.92 -38.42 82.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.551 ' NH2' HD12 ' A' ' 631' ' ' LEU . 1.9 mmt85 -62.59 -45.72 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.598 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 567' ' ' SER . 5.3 mt -67.05 -47.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.499 0.666 . . . . 0.0 110.49 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.499 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -58.03 -39.05 77.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.451 -179.168 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 1.2 tp10 -72.54 -36.08 68.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.668 0.27 . . . . 0.0 110.552 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.14 -25.42 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.143 0.497 . . . . 0.0 111.6 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.84 -35.26 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.412 0.625 . . . . 0.0 110.136 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -5.59 39.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.83 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 1.027 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.8 tp -61.59 126.76 87.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.068 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.234 0.292 0 C-N-CA 122.808 2.338 . . . . 0.0 111.348 178.703 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 103.82 15.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.98 147.55 24.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.295 0.569 . . . . 0.0 111.584 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . 0.475 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 4.7 mtp85 -103.45 125.78 50.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.725 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 113.85 21.83 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.332 0.587 . . . . 0.0 111.863 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.9 tp -107.17 134.72 49.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.422 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.468 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.49 121.83 33.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.343 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 545' ' ' VAL . 0.6 OUTLIER -120.26 131.78 55.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 -179.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -78.32 155.26 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -32.98 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.4 -46.18 67.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.451 ' CD ' HH12 ' A' ' 635' ' ' ARG . 0.0 OUTLIER -81.53 -27.67 34.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.047 0.451 . . . . 0.0 111.718 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.449 ' CE2' HG21 ' B' ' 546' ' ' VAL . 87.5 t80 -52.69 -47.82 66.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.778 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.0 p -61.2 -37.42 82.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.986 0.422 . . . . 0.0 111.424 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . 0.559 ' HE2' ' HZ ' ' A' ' 548' ' ' PHE . 7.7 tttt -64.97 -43.0 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.141 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.461 HG21 HD11 ' B' ' 537' ' ' LEU . 98.0 t -70.43 -43.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.392 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' B' ' 642' ' ' LEU . 50.1 t -59.93 -50.18 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.61 -37.35 87.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.14 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.632 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.6 t80 -59.39 -50.03 75.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.449 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.706 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.76 -30.6 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.34 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.39 -35.16 76.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.0 mmt85 -68.65 -39.05 80.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.3 -40.59 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.283 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.75 -21.55 61.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -14.95 60.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.04 132.25 23.11 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.54 128.45 24.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.131 1.887 . . . . 0.0 112.628 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -117.69 -19.34 9.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.733 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -121.12 152.41 38.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.496 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -38.71 10.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -72.98 -34.8 66.67 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 5.4 p -114.28 102.09 54.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.721 ' HB2' HG12 ' B' ' 565' ' ' VAL . 24.1 Cg_exo -63.07 94.98 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.295 2.663 . . . . 0.0 112.532 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -24.9 61.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.426 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.21 -50.74 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.761 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.757 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.6 p -63.93 -29.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.271 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.77 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.01 -39.64 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.218 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.432 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.61 -14.12 60.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 179.226 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -11.43 58.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.688 HG12 ' HD2' ' B' ' 577' ' ' ARG . 6.4 mt -87.54 141.33 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.781 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -87.22 117.79 69.07 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' B' ' 570' ' ' LEU . 49.7 Cg_endo -69.59 25.05 0.17 Allowed 'Trans proline' 0 C--N 1.335 -0.158 0 C-N-CA 122.823 2.349 . . . . 0.0 112.279 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' B' ' 570' ' ' LEU . 73.1 p -108.65 -3.86 17.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.094 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' B' ' 570' ' ' LEU . 0.0 OUTLIER -98.99 -79.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -168.42 -134.95 1.8 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.698 HD21 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -128.51 -4.3 5.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.623 0.249 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -45.16 81.18 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.206 0.527 . . . . 0.0 111.186 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.688 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.4 -36.39 84.01 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.22 -44.48 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.216 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.465 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.2 OUTLIER -63.8 -40.23 96.15 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.1 m -66.83 -37.19 84.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.757 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.53 -36.75 71.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.943 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.581 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -98.45 4.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.623 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.54 43.78 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.387 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.553 ' HB1' ' OD1' ' B' ' 587' ' ' ASP . . . -99.71 -105.29 0.22 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 103.75 -46.51 1.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 115.373 0.909 . . . . 0.0 115.373 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -67.35 -20.1 65.53 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.014 0.911 . . . . 0.0 110.651 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.553 ' OD1' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -74.48 -26.29 59.92 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.815 -178.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 6.9 m -56.62 -25.97 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.516 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -65.84 -34.02 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.001 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.516 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -70.14 -43.2 71.43 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.49 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.429 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.9 m-85 -66.64 -42.1 87.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.195 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.73 -40.39 87.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.14 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.91 96.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.147 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.4 t30 -81.29 -11.6 59.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.027 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.29 17.97 51.15 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.335 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.698 HG22 HD21 ' B' ' 575' ' ' LEU . 8.6 mt -95.06 99.58 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.44 10.84 0.87 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.95 172.0 10.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.29 144.75 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.107 0.48 . . . . 0.0 110.66 -179.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.74 -33.2 4.49 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.424 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.99 -49.21 78.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 111.32 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.456 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.58 -38.4 89.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.575 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.5 mp -68.37 -41.2 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.131 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -64.06 -41.49 97.34 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.181 0.515 . . . . 0.0 109.694 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -34.09 77.14 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.204 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.586 ' HA ' HD11 ' B' ' 612' ' ' ILE . 65.5 t80 -66.77 -37.74 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.3 0.571 . . . . 0.0 110.653 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 45.4 mt-10 -68.29 -38.56 81.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.497 0.665 . . . . 0.0 109.659 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -76.46 -41.17 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.386 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -138.07 147.35 43.96 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.087 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -102.37 -3.02 27.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.59 0.709 . . . . 0.0 109.327 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -115.3 33.96 5.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.71 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.694 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.8 OUTLIER -53.33 -54.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.846 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.1 m-85 -59.36 -39.54 83.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.757 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.13 -32.91 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.37 0.605 . . . . 0.0 109.605 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -36.79 76.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.497 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.4 pt -81.06 -20.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.88 27.8 4.45 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.772 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 17.1 mm -68.42 142.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.903 0.351 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.2 132.94 48.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.1 OUTLIER -65.29 -24.07 67.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.227 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.1 m -69.86 -14.76 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.331 . . . . 0.0 111.686 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 626' ' ' TYR . 2.7 mtpt -123.72 -4.03 8.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 4.8 tp -54.06 -44.8 71.4 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.34 85.83 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.047 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -62.16 -37.13 84.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.16 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.581 ' HD1' HD12 ' B' ' 582' ' ' ILE . 24.2 m-85 -68.85 -50.61 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.552 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -63.61 -33.3 75.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.075 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.38 -51.5 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.505 0.669 . . . . 0.0 109.325 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' B' ' 566' ' ' VAL . . . -69.13 -43.0 75.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.187 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.694 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -55.72 -49.31 73.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.456 0.702 . . . . 0.0 112.693 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.495 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.9 mm? -64.83 -44.46 89.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.828 0.347 . . . . 0.0 110.64 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 14.6 m -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.367 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' B' ' 566' ' ' VAL . 29.2 t80 -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.85 -40.78 89.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.706 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -61.31 -45.05 96.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.477 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 567' ' ' SER . 22.5 mt -64.1 -44.85 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -59.44 -47.57 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.523 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 5.2 tp10 -63.35 -36.69 84.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.745 0.307 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.7 -24.95 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.335 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.83 67.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.26 -6.02 42.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.611 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 mp -72.65 131.07 84.73 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.412 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . 0.45 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 94.0 Cg_endo -94.11 -140.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.291 2.661 . . . . 0.0 110.935 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.45 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.826 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 1.7 t80 . . . . . 0 N--CA 1.447 -0.622 0 CA-C-O 121.604 0.716 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.52 145.55 31.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.13 147.83 36.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.01 127.37 43.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.19 119.27 20.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.0 110.057 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 4.0 tp -112.16 139.87 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.31 122.54 34.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -114.72 141.47 47.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.735 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -73.44 157.42 36.9 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -48.15 80.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.61 -44.5 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.39 -30.0 64.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.972 0.415 . . . . 0.0 111.679 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 537' ' ' LEU . 93.6 t80 -55.33 -50.42 69.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.892 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.993 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.82 -34.67 78.44 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.069 0.461 . . . . 0.0 111.147 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -66.01 -44.97 83.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.28 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' B' ' 548' ' ' PHE . 57.7 t -71.21 -42.33 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.095 0.474 . . . . 0.0 111.912 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.26 -49.89 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.964 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -67.63 -34.79 77.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.992 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.442 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 0.8 OUTLIER -59.29 -48.7 80.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.945 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 24.5 mt -71.3 -30.47 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 0.0 111.279 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.55 77.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.219 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.3 mmt85 -68.82 -38.43 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.22 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.86 -40.52 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.231 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.2 58.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.032 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.93 -36.7 35.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 27.9 m -100.5 157.01 34.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.546 ' HB3' ' HG2' ' A' ' 564' ' ' GLN . 35.9 Cg_endo -68.62 127.77 16.04 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.827 1.684 . . . . 0.0 108.169 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 557' ' ' ARG . 9.7 ttm-85 -166.62 -26.65 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.839 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . 0.416 ' CB ' HG13 ' A' ' 561' ' ' VAL . 20.6 m-85 -97.89 142.09 30.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.099 0.476 . . . . 0.0 110.736 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -66.99 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.34 -26.18 62.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 558' ' ' TYR . 2.1 p -113.41 110.62 50.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.262 0.553 . . . . 0.0 110.641 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 5.2 Cg_exo -75.37 75.03 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.481 2.787 . . . . 0.0 111.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -36.57 84.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.059 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' A' ' 556' ' ' PRO . 0.0 OUTLIER -55.24 -39.56 69.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.5 p -85.48 -29.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.491 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.613 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.52 -39.62 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.036 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.471 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.9 OUTLIER -71.35 -16.11 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.539 . . . . 0.0 110.469 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -21.81 39.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.204 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -83.84 146.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.322 0.582 . . . . 0.0 111.295 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.731 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.1 mm? -102.6 131.96 21.82 Favored Pre-proline 0 C--N 1.314 -0.977 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.731 ' HD2' HD13 ' A' ' 570' ' ' LEU . 13.5 Cg_endo -60.94 -8.26 9.37 Favored 'Trans proline' 0 C--N 1.335 -0.156 0 C-N-CA 122.17 1.913 . . . . 0.0 111.512 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 54.5 p -80.29 -14.16 58.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.12 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.3 OUTLIER -99.93 12.01 37.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.203 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 88.99 -157.64 27.37 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.495 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -116.94 -3.02 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 0.0 110.437 -179.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.57 -44.76 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.599 -179.075 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.477 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.67 -41.58 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.736 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -66.57 -36.15 81.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.648 178.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 84.4 m -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.858 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.76 -44.06 81.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.362 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 5.5 pt -90.72 7.86 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptt 60.76 35.44 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.843 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.15 47.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.76 68.93 1.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.475 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 176.2 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.919 0.866 . . . . 0.0 109.047 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.436 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.1 m-20 -71.26 -21.85 62.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.513 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.97 -25.43 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.41 -33.89 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.54 -38.89 88.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.681 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.525 ' CE1' HD11 ' A' ' 618' ' ' ILE . 60.7 m-85 -68.26 -43.83 76.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.263 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.25 -41.11 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.53 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.461 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.5 t30 -82.77 -15.09 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.998 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.43 11.79 55.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 3.9 mt -90.1 109.37 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.747 0.308 . . . . 0.0 111.439 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -168.81 21.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.681 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 172.88 10.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -80.04 134.34 36.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.776 -179.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.87 -40.38 2.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.436 ' HA ' ' HE ' ' A' ' 604' ' ' ARG . 0.0 OUTLIER -58.24 -44.44 88.28 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.998 0.519 . . . . 0.0 111.317 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.3 ttt -62.82 -47.07 85.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 0.9 OUTLIER -67.59 -41.18 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -61.89 -35.16 77.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.056 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.414 ' OE2' ' HD2' ' A' ' 609' ' ' HIS . 7.2 tp10 -64.92 -35.66 81.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.627 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.832 ' HA ' HD11 ' A' ' 612' ' ' ILE . 81.2 t80 -69.01 -38.45 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 109.655 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 79.4 mt-10 -69.18 -46.87 66.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.81 49.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HD2' ' OE2' ' A' ' 605' ' ' GLU . 6.3 m-70 -111.13 -42.79 3.86 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 75.52 -47.34 0.59 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.992 0.517 . . . . 0.0 111.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -103.51 41.34 1.28 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 109.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.832 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -54.39 -59.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.549 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.8 m-85 -56.74 -43.0 80.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.374 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.1 OUTLIER -65.24 -39.75 93.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.135 0.493 . . . . 0.0 110.984 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -70.52 -43.04 70.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.525 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.471 HD11 HG12 ' A' ' 618' ' ' ILE . 40.9 pt -68.67 -24.3 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.41 24.51 4.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 119.759 -1.21 . . . . 0.0 113.745 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.525 HD11 ' CE1' ' A' ' 591' ' ' PHE . 13.2 mm -67.21 145.98 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.92 128.31 35.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.848 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -71.12 -25.59 62.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -16.8 64.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.055 0.455 . . . . 0.0 111.545 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 626' ' ' TYR . 17.2 mtmt -126.81 8.85 6.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.848 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.7 tp -53.39 -41.62 66.1 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.517 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -44.35 97.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -67.01 -38.45 85.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.504 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 39.4 m-85 -60.22 -52.86 63.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.25 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.25 -31.21 71.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.582 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.0 -51.86 62.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.701 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.31 77.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.066 0.46 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.749 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -59.18 -45.27 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.261 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.521 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -66.67 -40.84 88.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.619 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -43.26 88.07 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.144 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.613 ' HD1' HG13 ' A' ' 566' ' ' VAL . 1.8 t80 -60.64 -45.67 93.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.851 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -39.0 89.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.565 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 635' ' ' ARG . 0.6 OUTLIER -66.24 -45.55 80.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.836 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 567' ' ' SER . 20.8 mt -64.13 -43.58 97.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.1 -46.32 85.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -35.92 81.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.577 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.9 -24.34 67.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.337 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 11.3 mtp -68.23 -33.05 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -6.43 47.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.993 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -69.41 130.02 91.18 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.226 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.456 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 111.11 178.073 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.624 0 CA-C-O 121.458 0.646 . . . . 0.0 112.515 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 61.5 m -114.75 122.77 47.42 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.21 128.39 35.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.295 0.569 . . . . 0.0 111.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 126.19 53.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.007 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 102.87 14.41 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.29 0.567 . . . . 0.0 110.716 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.0 tp -89.84 149.74 22.53 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.607 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.06 121.87 33.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.764 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -112.69 129.88 56.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.611 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.521 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.1 OUTLIER -82.77 158.95 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -48.39 65.2 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.33 65.86 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.23 -29.52 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.15 0.5 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' B' ' 537' ' ' LEU . 58.7 t80 -55.6 -51.75 66.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.618 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.977 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.1 p -67.26 -33.69 75.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.467 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -45.5 79.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.767 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.508 HG21 HD11 ' B' ' 537' ' ' LEU . 54.2 t -71.02 -42.99 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.434 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' B' ' 638' ' ' GLU . 43.5 t -59.11 -50.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.33 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.7 mm-40 -69.45 -33.82 73.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.253 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.683 ' HE2' HG22 ' A' ' 545' ' ' VAL . 0.9 OUTLIER -59.51 -48.04 83.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.2 mt -72.1 -34.37 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.923 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.88 73.19 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.669 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.5 mmt180 -60.39 -48.53 81.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -33.06 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.09 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.652 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -76.92 -17.94 58.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.186 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -98.4 -44.79 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.943 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.94 127.74 37.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.672 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.624 ' HB3' ' HG2' ' B' ' 564' ' ' GLN . 11.1 Cg_endo -54.95 129.21 34.07 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.93 2.42 . . . . 0.0 111.957 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -149.6 -34.35 0.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.131 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.85 130.36 42.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.976 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -44.19 62.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.187 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -74.03 -36.28 64.4 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 6.2 p -113.64 110.83 49.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.184 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 3.8 Cg_exo -80.36 85.28 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.392 2.728 . . . . 0.0 111.394 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . 0.465 ' HB ' ' HA ' ' B' ' 553' ' ' ALA . 0.9 OUTLIER -72.21 -26.2 61.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.926 -179.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -55.64 -47.16 77.1 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.1 p -71.04 -27.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.029 0.442 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.789 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.41 -36.97 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.483 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -74.3 -15.12 60.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.296 0.569 . . . . 0.0 110.154 179.397 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -16.69 50.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.649 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -79.93 139.46 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.696 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.672 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -89.63 118.09 68.71 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.672 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.6 Cg_endo -67.56 20.63 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.24 0 C-N-CA 123.087 2.525 . . . . 0.0 112.108 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.713 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 53.2 p -108.16 -13.11 14.99 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.315 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -50.72 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.622 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.53 -146.45 14.25 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.238 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.506 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -116.04 -3.77 12.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.489 0.185 . . . . 0.0 111.051 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -44.4 87.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 111.466 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.535 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.33 81.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.998 0.427 . . . . 0.0 110.098 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -47.3 86.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.77 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.501 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.1 OUTLIER -63.39 -42.29 98.79 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -61.84 -37.41 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.544 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.538 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.34 -36.86 71.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.078 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -102.39 9.44 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.021 -179.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.8 mttt 61.24 41.65 13.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.406 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.612 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -96.15 46.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.205 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.43 62.66 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.179 -0.534 . . . . 0.0 112.326 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -176.0 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.512 0.673 . . . . 0.0 109.667 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -21.9 62.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.577 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.28 -25.63 59.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.458 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.509 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -61.37 -33.88 58.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.509 HD22 HG12 ' B' ' 589' ' ' VAL . 1.1 mm? -66.15 -38.49 88.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.628 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.451 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 81.9 m-85 -67.34 -44.34 79.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -61.02 -37.7 83.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.82 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.08 96.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.057 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.494 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.8 t30 -80.69 -13.81 58.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.059 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.08 14.61 41.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.256 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.506 HG22 HD21 ' B' ' 575' ' ' LEU . 5.8 mt -95.53 92.68 3.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.5 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 11.1 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 173.6 10.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.119 0.485 . . . . 0.0 111.945 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.713 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 5.7 ptm -80.28 149.84 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.078 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.76 -34.17 2.33 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -47.84 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.581 0.352 . . . . 0.0 111.725 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.81 96.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -40.82 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.092 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -62.76 -45.34 93.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 18.0 mm-40 -65.26 -34.64 78.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.361 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.849 ' HA ' HD11 ' B' ' 612' ' ' ILE . 68.8 t80 -64.91 -38.72 91.9 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.595 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -74.56 -46.2 40.42 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -21.19 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.7 m-70 -122.32 -50.39 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.769 -0.582 . . . . 0.0 112.569 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.31 -33.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.507 0.723 . . . . 0.0 111.639 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 6.7 t0 -102.78 39.73 1.49 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.467 0.651 . . . . 0.0 109.655 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.849 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -62.74 -58.51 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.204 -178.171 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.8 m-85 -57.29 -40.81 78.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.629 ' HG2' HD11 ' B' ' 623' ' ' LEU . 1.1 mm-40 -66.43 -36.96 84.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.17 0.509 . . . . 0.0 110.235 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.6 -42.76 73.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.965 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.9 pt -70.88 -22.89 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.37 30.37 3.37 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.032 -1.08 . . . . 0.0 113.245 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.1 mm -66.64 145.56 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.95 129.05 38.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -38.61 84.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.9 m -70.5 -8.84 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.669 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.438 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.8 mtpt -122.79 -5.48 8.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.8 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' B' ' 614' ' ' GLU . 2.3 tp -55.31 -45.07 76.3 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.754 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' B' ' 628' ' ' GLU . 0.0 OUTLIER -60.03 -48.0 83.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.258 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.08 93.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.415 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.612 ' HE1' ' HB2' ' B' ' 584' ' ' ALA . 12.7 m-85 -65.98 -51.57 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 9.2 m-85 -64.86 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.301 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -60.14 -50.04 75.27 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.89 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.99 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.791 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.6 OUTLIER -60.42 -49.43 77.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.388 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.83 -43.51 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.519 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 56.8 m -60.39 -46.46 89.9 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.967 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.789 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.0 t80 -60.47 -44.63 95.69 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.338 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' B' ' 635' ' ' ARG . 5.1 mmt180 -65.88 -44.83 84.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.652 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.2 mt -59.42 -46.47 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 109.859 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -39.62 82.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.291 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HB3' HG11 ' B' ' 546' ' ' VAL . 1.7 mt-10 -68.64 -41.01 79.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.623 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.812 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.38 -24.93 67.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.8 mtt -66.81 -33.62 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 109.56 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -5.69 45.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.803 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.977 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.0 OUTLIER -79.29 133.64 60.1 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.905 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 11.7 Cg_exo -70.81 -63.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.374 2.049 . . . . 0.0 110.081 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' B' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.237 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.008 0.432 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.51 147.91 45.57 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.845 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.724 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 1.6 m-85 -93.26 140.86 29.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 0.0 111.195 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 533' ' ' ARG . 4.1 mtp-105 -121.81 126.33 48.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.78 116.84 27.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.48 HD11 ' NH2' ' B' ' 635' ' ' ARG . 20.6 tp -111.55 149.96 30.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.683 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.92 121.89 33.14 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -109.85 141.85 41.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.71 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -74.02 157.91 35.28 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.928 178.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.51 71.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.69 -40.76 76.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.442 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.16 -26.38 61.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.599 ' HB2' ' O ' ' A' ' 538' ' ' SER . 75.7 t80 -52.53 -49.82 64.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.377 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.937 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.7 p -66.27 -33.96 76.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.731 0.301 . . . . 0.0 111.299 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.99 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.62 -43.19 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.0 111.645 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.29 -50.5 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.914 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.79 -34.16 77.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.173 -178.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.2 t80 -59.09 -50.61 73.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.984 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.4 mt -71.57 -28.31 63.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.1 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.83 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 20.7 mmt85 -64.1 -47.32 80.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.13 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -67.93 -31.61 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.665 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -71.62 -33.74 69.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.419 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -82.73 -50.32 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 5.4 t -101.98 110.58 62.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.711 ' HG3' ' HB2' ' A' ' 564' ' ' GLN . 99.4 Cg_exo -34.02 126.43 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.121 3.214 . . . . 0.0 114.345 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.536 ' HB3' ' HB3' ' A' ' 552' ' ' GLU . 4.2 ttt180 -169.22 28.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.752 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -106.75 162.11 14.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.2 p -45.88 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.072 0.858 . . . . 0.0 113.149 -178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -144.3 51.89 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 0.0 110.543 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 629' ' ' ALA . 2.0 p -143.66 124.17 7.84 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.407 ' HB2' HG12 ' A' ' 565' ' ' VAL . 19.0 Cg_endo -60.73 94.76 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.139 2.559 . . . . 0.0 111.937 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.42 -32.12 26.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.352 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.711 ' HB2' ' HG3' ' A' ' 556' ' ' PRO . 1.5 tm0? -56.41 -45.09 80.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.199 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.9 p -73.59 -31.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.557 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.551 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.18 -39.92 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.366 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.14 -18.88 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.393 0.616 . . . . 0.0 109.897 179.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -86.09 -14.23 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.226 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 565' ' ' VAL . 68.8 mt -73.76 136.13 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.553 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -84.87 115.88 62.85 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.611 ' O ' ' HB2' ' A' ' 599' ' ' MET . 40.1 Cg_endo -67.76 22.36 0.12 Allowed 'Trans proline' 0 C--N 1.334 -0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.544 ' H ' ' C ' ' A' ' 570' ' ' LEU . 60.1 p -109.93 -16.79 13.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.371 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 577' ' ' ARG . 0.3 OUTLIER -85.46 -43.31 13.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.67 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 145.32 -133.94 5.3 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.0 OUTLIER -123.47 4.04 9.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.828 0.347 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.402 ' HG3' ' OE2' ' A' ' 573' ' ' GLU . 0.9 OUTLIER -57.05 -46.01 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.079 -179.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.502 ' HB2' ' OE2' ' A' ' 573' ' ' GLU . 0.0 OUTLIER -68.45 -37.23 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.661 0.267 . . . . 0.0 110.816 179.211 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.26 77.81 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.128 0.49 . . . . 0.0 110.126 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 85.8 m -70.49 -43.39 69.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.619 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.03 -45.22 75.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.121 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.562 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -86.93 1.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.938 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 40.39 30.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.668 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.458 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -58.98 -69.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.157 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 126.39 -127.41 6.04 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.635 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 26.58 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.56 -24.04 62.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 110.09 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -57.71 -25.29 60.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -61.82 -34.15 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -68.47 -38.92 81.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 596' ' ' ILE . 93.7 m-85 -67.33 -39.47 85.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.288 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.445 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.8 t-20 -62.35 -41.87 98.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.046 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.3 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.338 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.594 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.6 t30 -81.88 -11.44 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.382 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 87.31 23.75 39.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.293 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 591' ' ' PHE . 17.7 mt -83.73 -102.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.445 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 37.5 p90 49.26 0.56 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.38 171.67 7.69 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.719 -0.613 . . . . 0.0 111.813 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -80.46 149.64 30.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.681 179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.35 -41.0 2.01 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.479 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 604' ' ' ARG . 2.5 t70 -57.28 -43.96 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.5 ttp -61.49 -46.67 89.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.99 -40.23 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . 0.469 ' NH2' ' HG2' ' A' ' 605' ' ' GLU . 6.4 ttp85 -60.76 -47.14 87.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.217 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.469 ' HG2' ' NH2' ' A' ' 604' ' ' ARG . 9.2 mm-40 -62.01 -36.46 81.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.653 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.7 t80 -62.47 -45.08 94.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.641 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.45 -36.84 81.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -76.22 -25.24 54.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.152 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.2 -128.91 0.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 176.46 -35.46 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -106.26 41.26 1.45 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.838 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.653 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.1 mp -52.65 -56.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.46 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.6 m-85 -59.17 -39.62 83.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.26 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -38.29 88.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.227 0.537 . . . . 0.0 110.508 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -42.16 76.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.08 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.594 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.0 pt -70.76 -22.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.66 28.72 3.61 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.113 -1.042 . . . . 0.0 113.32 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 616' ' ' ILE . 17.8 mm -71.83 141.66 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.507 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 8.2 t0 -65.6 134.55 53.53 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.739 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.786 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -68.07 -28.25 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -17.15 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.132 0.491 . . . . 0.0 111.035 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 619' ' ' ASP . 35.0 mtmt -117.62 -3.94 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.756 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.786 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.3 tp -54.75 -44.44 73.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.793 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -48.23 82.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -61.15 -38.12 85.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.562 ' HD1' HD12 ' A' ' 582' ' ' ILE . 23.7 m-85 -69.43 -51.09 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.724 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 8.4 m-85 -65.66 -31.9 73.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.695 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -49.97 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -66.67 -34.42 77.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.699 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.472 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -58.39 -43.69 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.546 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.587 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -61.74 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.223 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -62.88 -46.87 85.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.757 -179.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.99 89.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.618 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -62.09 -39.77 93.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.091 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -66.13 -40.36 90.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 567' ' ' SER . 44.8 mt -61.45 -48.73 87.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.01 -42.81 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.844 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 546' ' ' VAL . 0.8 OUTLIER -62.51 -42.93 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.098 178.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -66.2 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.057 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 22.5 mtt -69.29 -31.35 69.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.459 0.647 . . . . 0.0 109.333 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -92.81 -6.35 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.703 -179.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.937 ' HG ' HG22 ' A' ' 543' ' ' THR . 0.6 OUTLIER -61.64 142.92 94.18 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.436 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 CA--C 1.529 0.23 0 C-N-CA 122.969 2.446 . . . . 0.0 112.723 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.693 ' CD1' ' HA ' ' B' ' 624' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 124.14 46.96 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.466 ' HE1' HD21 ' B' ' 631' ' ' LEU . 19.8 m-85 -87.67 129.22 35.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.208 0.527 . . . . 0.0 111.7 -178.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -125.55 134.36 52.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.832 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 119.18 24.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.147 0.499 . . . . 0.0 110.711 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.67 138.21 38.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.753 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.34 120.99 33.4 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.453 HD11 HG21 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -122.49 142.36 50.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.963 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.587 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -80.99 156.99 25.66 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -46.92 86.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.33 68.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -70.78 -28.06 64.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.179 0.514 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' B' ' 538' ' ' SER . 85.5 t80 -54.24 -50.16 67.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.196 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.63 HG22 ' HG ' ' B' ' 642' ' ' LEU . 40.7 p -61.44 -35.24 77.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -66.05 -44.89 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.453 HG21 HD11 ' B' ' 537' ' ' LEU . 48.1 t -70.84 -41.55 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' B' ' 638' ' ' GLU . 41.3 t -60.18 -50.77 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.811 ' HG3' ' HE3' ' B' ' 644' ' ' LYS . 0.0 OUTLIER -67.35 -31.36 71.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.974 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -58.37 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.686 ' HA ' ' HG3' ' B' ' 552' ' ' GLU . 17.4 mt -72.59 -29.48 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.319 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . 0.466 ' HB1' ' HE3' ' B' ' 554' ' ' LYS . . . -63.62 -33.16 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 15.5 mmt85 -65.58 -40.74 93.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.037 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.686 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.1 OUTLIER -68.02 -32.24 72.47 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.456 0.646 . . . . 0.0 109.605 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.71 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -75.84 -35.11 60.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.901 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HE3' ' HB1' ' B' ' 550' ' ' ALA . 34.4 mttt -73.32 -57.08 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 15.6 t -104.79 118.42 56.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.767 ' HD3' ' HB2' ' B' ' 564' ' ' GLN . 2.2 Cg_endo -43.98 126.61 6.2 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.679 2.919 . . . . 0.0 113.986 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 24.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.455 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . 0.594 ' HE1' ' HB2' ' B' ' 552' ' ' GLU . 5.7 m-85 -106.71 160.29 15.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.649 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . 0.449 ' HB ' ' H ' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -75.32 -109.07 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.449 ' H ' ' HB ' ' B' ' 559' ' ' THR . 0.7 OUTLIER -83.84 46.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' B' ' 558' ' ' TYR . 2.2 p -158.21 125.15 2.59 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.865 0.364 . . . . 0.0 110.997 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.511 ' HG2' ' O ' ' B' ' 581' ' ' ALA . 27.1 Cg_exo -63.95 147.81 91.83 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.02 2.48 . . . . 0.0 111.551 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -135.02 -43.3 0.73 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.777 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.767 ' HB2' ' HD3' ' B' ' 556' ' ' PRO . 19.7 tt0 -58.61 -43.49 89.6 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.518 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.4 p -66.92 -29.84 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.051 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.527 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.83 -40.23 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.517 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.97 -16.64 62.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.527 0.679 . . . . 0.0 109.926 179.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.91 -17.14 41.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.308 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 11.2 mt -79.79 137.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -83.54 121.32 76.44 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.722 ' HD2' HD13 ' B' ' 570' ' ' LEU . 23.1 Cg_endo -65.11 9.83 0.16 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.496 2.13 . . . . 0.0 112.161 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 28.5 p -108.35 -6.07 16.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.02 -62.43 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.289 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 165.15 -155.42 26.79 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.1 OUTLIER -116.73 -6.94 11.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.911 0.356 . . . . 0.0 110.556 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -40.55 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.441 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.26 -37.18 86.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.276 0.56 . . . . 0.0 109.584 178.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' B' ' 575' ' ' LEU . 61.9 t80 -63.5 -45.27 91.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.666 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -42.43 96.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.868 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 44.7 m -61.41 -39.18 89.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.034 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -58.72 -45.69 89.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.633 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.453 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.5 pt -86.77 6.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.829 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.34 37.54 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -66.25 -67.6 0.43 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.48 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 94.27 -98.43 2.32 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.817 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -82.85 4.59 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.502 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 7.6 m-20 -70.8 -24.77 62.63 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.228 -0.295 . . . . 0.0 111.461 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.426 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.53 -26.56 65.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 0.0 110.774 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -60.98 -33.66 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.363 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' B' ' 589' ' ' VAL . 1.0 OUTLIER -66.71 -37.95 85.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.252 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.516 ' HA ' HD12 ' B' ' 596' ' ' ILE . 87.7 m-85 -68.24 -42.32 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.017 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -58.81 -43.56 90.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.923 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.29 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.695 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.596 ' HB2' HG22 ' B' ' 616' ' ' ILE . 52.1 t30 -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.12 15.84 46.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.502 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 591' ' ' PHE . 9.8 mt -83.15 -101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . 0.504 ' HA ' HD11 ' B' ' 575' ' ' LEU . 17.8 p90 51.79 -3.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . 0.417 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.21 171.24 7.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.24 0.543 . . . . 0.0 111.878 -179.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -80.86 145.39 31.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.488 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.3 -37.63 2.41 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.454 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.88 -40.86 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.221 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.416 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.4 mt -68.42 -42.91 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.549 ' NH2' ' HG2' ' B' ' 605' ' ' GLU . 4.5 ttp85 -61.53 -40.25 93.98 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.956 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.549 ' HG2' ' NH2' ' B' ' 604' ' ' ARG . 7.1 mm-40 -63.46 -38.55 91.56 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.146 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.709 ' HA ' HD11 ' B' ' 612' ' ' ILE . 79.3 t80 -67.26 -37.49 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.101 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.8 -43.73 78.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -77.04 -41.34 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.498 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 5.4 m-70 -105.87 -132.98 0.32 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.974 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 0.4 OUTLIER 168.0 -33.84 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -98.49 27.27 4.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.338 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -51.17 -61.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.407 -178.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.404 ' HA ' HG12 ' B' ' 616' ' ' ILE . 2.9 m-85 -58.07 -39.64 79.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.422 . . . . 0.0 111.097 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.41 94.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.241 0.544 . . . . 0.0 110.772 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -40.9 73.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.016 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.3 pt -68.05 -25.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . 0.436 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.29 27.99 3.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.608 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.43 HG12 HD11 ' B' ' 616' ' ' ILE . 19.2 mm -66.05 147.34 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.496 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 14.0 t70 -62.83 121.01 12.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.948 0.404 . . . . 0.0 110.421 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.42 69.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -10.55 59.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.021 0.439 . . . . 0.0 111.338 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.568 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 34.6 mtpt -117.68 -4.96 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.675 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' B' ' 530' ' ' TYR . 3.7 tp -53.69 -43.73 69.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.418 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.693 ' HA ' ' CD1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.701 -178.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.516 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -63.4 -37.01 85.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.568 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 2.1 m-30 -67.34 -50.95 57.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . 0.401 ' CD2' ' HG ' ' B' ' 623' ' ' LEU . 7.7 m-85 -65.37 -32.7 74.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.2 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -50.56 73.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.06 80.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.568 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.3 OUTLIER -58.67 -45.07 90.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.31 178.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.518 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.2 mm? -66.77 -39.65 87.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.353 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.478 ' O ' HG13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -63.87 -45.67 88.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.658 0.266 . . . . 0.0 110.342 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -60.68 -42.88 97.98 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.977 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.86 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.48 ' NH2' HD11 ' A' ' 535' ' ' LEU . 11.3 mmp_? -66.02 -43.71 86.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.418 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.71 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -59.64 -49.08 85.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.583 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.248 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.447 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.1 tt0 -67.58 -41.21 84.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.291 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -64.46 -31.81 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.357 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 4.3 mtm -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.509 0.671 . . . . 0.0 109.543 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -5.08 41.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.314 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' B' ' 639' ' ' ALA . 0.5 OUTLIER -65.26 130.68 94.83 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.044 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.3 111.0 2.15 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.576 2.184 . . . . 0.0 111.755 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.811 ' HE3' ' HG3' ' B' ' 547' ' ' GLU . 1.2 mttm . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.493 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.663 ' CD1' ' HB2' ' B' ' 538' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.702 0.763 . . . . 0.0 111.536 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.44 138.88 58.68 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.143 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 26.8 m-85 -104.49 131.75 51.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.178 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 126.58 37.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . 0.809 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -86.2 103.94 15.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.586 HD13 ' HE1' ' B' ' 542' ' ' TYR . 1.2 tp -88.91 150.36 22.89 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.924 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.68 119.73 31.16 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.378 0.609 . . . . 0.0 109.873 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -120.4 134.03 55.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.915 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 156.92 38.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -39.91 79.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.8 69.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.53 -29.45 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 111.225 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.8 t80 -55.36 -46.81 76.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.319 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 1.021 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -64.12 -33.96 76.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.323 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -65.67 -42.41 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.499 HG22 HD11 ' B' ' 549' ' ' LEU . 88.7 t -70.31 -43.22 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 0.0 111.224 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.52 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 44.5 t -60.77 -49.57 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -65.86 -32.38 73.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.055 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.637 ' HE2' HG22 ' B' ' 545' ' ' VAL . 2.7 t80 -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.745 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.3 mt -71.17 -27.2 63.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.422 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 41.3 mmt-85 -62.96 -48.59 78.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.275 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.52 -39.37 90.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.05 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.16 -19.33 56.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.265 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -87.03 -29.19 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.605 0.24 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.97 153.12 49.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 111.563 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.61 127.0 11.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 N-CA-C 108.432 -1.411 . . . . 0.0 108.432 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.83 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.013 0.435 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.47 123.33 37.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -23.9 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.46 0.648 . . . . 0.0 109.277 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -72.23 -42.82 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.449 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.3 p -122.87 113.1 30.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.066 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 17.3 Cg_exo -66.84 81.17 0.34 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.117 2.544 . . . . 0.0 113.318 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.413 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -88.63 -25.81 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.983 0.42 . . . . 0.0 110.846 179.525 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.41 ' HG3' ' H ' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -60.75 -46.84 88.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.063 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 581' ' ' ALA . 12.8 p -75.16 -21.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.278 0.561 . . . . 0.0 110.191 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -68.44 -37.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.634 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -73.72 -14.29 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.685 0.755 . . . . 0.0 110.157 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -82.07 -5.77 58.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 2.2 mt -98.83 145.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 111.535 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.592 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -104.63 123.2 41.01 Favored Pre-proline 0 N--CA 1.441 -0.923 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 599' ' ' MET . 22.9 Cg_endo -60.76 -6.42 5.87 Favored 'Trans proline' 0 C--O 1.226 -0.12 0 C-N-CA 122.696 2.264 . . . . 0.0 112.058 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 73.0 p -80.53 -16.45 54.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.812 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -15.3 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 119.16 -164.17 13.24 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.144 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.491 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -110.33 -1.73 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -44.5 73.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.503 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.21 -36.43 79.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -59.9 -42.84 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.3 OUTLIER -66.81 -41.16 87.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 49.9 m -62.62 -39.51 94.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 110.494 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.0 -40.73 73.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.628 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 10.1 pt -95.45 7.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.43 42.18 18.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.244 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -81.81 -74.79 0.32 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.74 -64.67 2.96 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.204 -0.522 . . . . 0.0 114.234 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -75.71 -19.72 58.89 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.516 -0.403 . . . . 0.0 111.969 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.456 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 11.3 m-20 -73.82 -25.34 60.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.703 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.48 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -59.85 -26.17 65.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 110.979 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.494 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.37 -33.44 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.494 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.75 -36.97 83.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.579 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.48 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 90.9 m-85 -68.33 -38.3 81.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.395 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.6 t-20 -62.24 -41.34 98.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.597 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.42 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.189 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.58 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.0 t30 -81.74 -10.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.068 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.53 27.77 46.22 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.253 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.58 HG13 ' HB3' ' A' ' 594' ' ' ASN . 22.3 mt -85.19 -106.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.771 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.9 p90 47.74 10.44 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 172.05 11.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.169 0.509 . . . . 0.0 112.361 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.704 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.52 142.77 32.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.794 -179.686 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.86 -47.64 3.58 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.237 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -46.45 88.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.777 0.322 . . . . 0.0 111.377 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.49 ' SD ' HD22 ' A' ' 575' ' ' LEU . 0.1 OUTLIER -63.75 -44.03 94.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.435 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.8 mp -67.85 -40.81 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -62.61 -44.33 96.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.177 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.9 mm-40 -63.33 -36.12 82.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.187 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.67 ' HA ' HD11 ' A' ' 612' ' ' ILE . 50.6 t80 -67.09 -38.72 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.34 -39.05 78.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -76.22 -32.18 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.196 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.438 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 9.1 m-70 -116.48 -139.73 0.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.006 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.438 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.2 p30 176.63 -22.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.239 -1.346 . . . . 0.0 107.463 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -111.44 33.84 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.808 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.692 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -57.55 -54.3 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.347 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.84 -39.39 84.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.487 ' HG3' HD21 ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.52 -37.63 85.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.406 0.622 . . . . 0.0 110.052 178.492 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.43 78.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.148 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 594' ' ' ASN . 47.1 pt -69.45 -25.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.499 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.457 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 113.73 29.8 2.77 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.831 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.5 mm -65.91 146.1 13.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.489 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 10.6 t70 -64.25 130.52 44.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.65 72.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.716 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -12.8 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 0.0 111.411 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.678 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 13.6 mtpt -119.93 -9.38 9.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 614' ' ' GLU . 8.1 tp -53.51 -45.56 69.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -45.18 92.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.339 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.628 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 1.4 tttt -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.678 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.6 m-30 -68.66 -41.7 78.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.964 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.64 -33.62 76.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.462 ' HB3' HG21 ' A' ' 561' ' ' VAL . 0.1 OUTLIER -62.0 -49.44 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.067 0.46 . . . . 0.0 110.176 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.95 78.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.692 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -62.28 -48.32 80.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 3.2 mm? -61.52 -45.49 94.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.851 0.358 . . . . 0.0 111.827 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.734 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 5.5 m -67.55 -36.04 80.21 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 35.1 t80 -61.75 -41.34 97.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . 0.435 ' HE1' HG23 ' A' ' 603' ' ' ILE . 72.6 t80 -59.93 -38.45 82.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.092 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.745 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -67.78 -45.29 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 567' ' ' SER . 55.1 mt -60.89 -45.91 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.97 0.414 . . . . 0.0 110.184 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.456 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -58.98 -42.65 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -36.18 75.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.9 -27.4 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.7 mtt -67.73 -33.12 74.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.555 0.693 . . . . 0.0 109.53 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -5.99 45.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 1.021 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.1 tp -70.57 128.25 91.24 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.377 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.547 2.165 . . . . 0.0 111.199 178.76 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' B' ' 624' ' ' SER . 1.2 p90 . . . . . 0 N--CA 1.447 -0.603 0 CA-C-O 121.173 0.511 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.98 134.24 56.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.396 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.62 ' HE2' HD21 ' B' ' 631' ' ' LEU . 3.0 m-85 -88.58 136.18 33.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.936 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.15 132.63 51.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.19 101.39 13.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.125 0.488 . . . . 0.0 110.602 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 542' ' ' TYR . 20.1 tp -93.08 137.2 32.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.231 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.809 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.19 121.66 33.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.559 0.695 . . . . 0.0 111.026 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.617 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 1.3 mm? -119.64 120.91 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.781 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.663 ' HB2' ' CD1' ' A' ' 530' ' ' TYR . 9.6 p -81.4 155.94 25.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -30.36 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.78 -48.21 60.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 545' ' ' VAL . 7.5 mt-10 -83.19 -29.61 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.617 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 69.9 t80 -54.4 -52.4 61.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.753 ' HA ' HD21 ' B' ' 642' ' ' LEU . 15.1 p -61.39 -35.57 77.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -67.34 -44.86 78.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.637 HG22 ' HE2' ' A' ' 548' ' ' PHE . 30.6 t -71.92 -43.6 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.908 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.5 t -59.35 -50.99 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.264 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.1 mm-40 -68.77 -33.43 73.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.385 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 3.2 t80 -61.1 -50.8 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.647 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.53 -26.92 62.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.11 80.05 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 24.5 mmt85 -63.39 -48.15 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.378 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.929 ' HA ' HH12 ' B' ' 557' ' ' ARG . 4.0 mm-40 -66.08 -33.15 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.415 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.483 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.38 -23.21 50.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.586 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.408 ' HE2' HG23 ' B' ' 636' ' ' ILE . 16.1 mttt -86.41 -54.04 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.85 124.23 90.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.841 ' HD3' ' HG3' ' B' ' 564' ' ' GLN . 18.3 Cg_endo -59.13 125.49 18.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.058 1.838 . . . . 0.0 112.013 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . 0.929 HH12 ' HA ' ' B' ' 552' ' ' GLU . 0.0 OUTLIER -150.72 13.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.47 124.56 21.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.134 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -24.14 15.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.556 . . . . 0.0 109.545 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' B' ' 625' ' ' LYS . 29.6 t90 -69.14 -42.91 75.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.039 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -129.36 117.51 18.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.95 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.09 95.74 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.959 2.439 . . . . 0.0 111.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -37.28 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.452 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.841 ' HG3' ' HD3' ' B' ' 556' ' ' PRO . 2.9 tm0? -58.57 -43.34 89.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.957 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 581' ' ' ALA . 13.1 p -69.14 -31.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -69.12 -41.28 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.635 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.13 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.519 0.676 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.78 -18.7 43.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.721 HG12 ' HD2' ' B' ' 577' ' ' ARG . 13.3 mt -82.61 144.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.198 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -97.61 123.27 52.68 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.738 ' HD2' HD13 ' B' ' 570' ' ' LEU . 29.4 Cg_endo -65.98 13.29 0.12 Allowed 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.96 2.44 . . . . 0.0 112.146 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.559 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.7 p -107.91 -8.48 15.94 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.259 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 3.5 mt-10 -92.35 -49.78 5.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.544 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.67 175.71 27.0 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.758 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.2 OUTLIER -92.61 -12.72 30.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 0.0 110.7 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . 0.477 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -56.5 -43.28 79.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.322 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.721 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.22 -37.43 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.079 178.272 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.35 -45.75 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.024 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -42.82 97.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.204 0.526 . . . . 0.0 109.772 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 74.4 m -65.95 -40.37 91.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.889 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.99 -40.96 74.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.718 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.561 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.6 OUTLIER -92.44 1.9 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.248 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 22.7 mttt 59.59 41.62 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.065 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.427 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -65.36 -70.31 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 117.02 -124.58 6.2 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.288 -0.958 . . . . 0.0 114.241 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -72.46 8.27 1.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.427 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 38.1 m-20 -69.62 -24.84 63.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -26.17 63.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.903 0.382 . . . . 0.0 110.548 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -61.43 -34.03 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.298 179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -67.62 -38.8 84.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.29 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.414 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 90.8 m-85 -67.56 -38.74 84.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.775 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -61.49 -38.34 86.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.01 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.489 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.802 ' HB2' HG22 ' B' ' 616' ' ' ILE . 18.8 t30 -79.65 -8.51 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.355 0.598 . . . . 0.0 110.82 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 85.32 18.94 59.66 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.986 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.599 HG13 ' HB3' ' B' ' 594' ' ' ASN . 9.5 mt -79.72 -106.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . 0.519 ' HA ' HD11 ' B' ' 575' ' ' LEU . 23.8 p90 51.62 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.58 172.99 6.56 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.33 0.586 . . . . 0.0 112.552 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.119 -178.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.51 -39.15 2.12 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.517 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.28 -36.44 73.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.527 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -63.68 -45.0 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.527 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.0 OUTLIER -69.23 -40.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 109.808 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -63.07 -46.43 87.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.486 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 19.8 mm-40 -64.84 -33.86 76.99 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.803 ' HA ' HD11 ' B' ' 612' ' ' ILE . 74.6 t80 -65.62 -38.77 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.425 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.41 -45.31 76.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.712 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -77.54 -37.25 51.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.344 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.8 m-70 -102.14 -64.34 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.55 -29.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.125 0.89 . . . . 0.0 109.175 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 609' ' ' HIS . 53.2 p-10 -105.34 27.14 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.652 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -54.64 -57.57 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.911 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -38.55 84.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.137 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -43.15 72.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.609 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.6 pt -70.39 -21.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.71 28.3 4.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.58 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 15.1 mm -66.81 145.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.31 138.69 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.688 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.93 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.429 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -9.12 17.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.584 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.9 mtpt -119.08 -11.99 9.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.348 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.74 -45.01 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.765 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.401 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -59.61 -41.7 90.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.546 ' HB2' ' CZ3' ' B' ' 560' ' ' TRP . 0.3 OUTLIER -65.4 -40.43 93.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.72 -179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.584 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 25.1 m-85 -66.29 -48.46 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.961 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -64.17 -31.8 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.098 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -62.88 -51.47 66.88 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.87 81.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.225 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.479 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -59.21 -49.38 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.899 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.6 OUTLIER -61.51 -44.56 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.119 0.485 . . . . 0.0 110.043 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 15.5 m -61.27 -46.8 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.511 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -64.17 -40.5 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.077 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -59.73 -38.92 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.937 0.398 . . . . 0.0 110.324 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.647 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -67.9 -43.41 79.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.395 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 633' ' ' PHE . 19.8 mt -62.58 -48.06 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 110.493 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.98 -41.83 88.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.348 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.8 OUTLIER -67.51 -39.6 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.43 -25.94 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.313 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.4 mmm -67.57 -34.8 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.557 0.694 . . . . 0.0 109.993 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -5.92 43.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.187 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 543' ' ' THR . 4.9 tp -73.84 119.65 77.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.657 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.81 -105.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.721 2.281 . . . . 0.0 111.378 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.345 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.461 ' HE2' ' CB ' ' B' ' 538' ' ' SER . 1.3 t80 . . . . . 0 N--CA 1.448 -0.542 0 CA-C-O 121.151 0.5 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.36 142.26 46.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.152 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.664 ' HE2' HD21 ' A' ' 631' ' ' LEU . 20.1 m-85 -115.63 157.03 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -145.92 126.6 14.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.937 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.04 106.09 18.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.07 0.462 . . . . 0.0 110.722 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 26.4 tp -92.48 147.55 22.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.721 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.6 121.76 33.56 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.892 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -111.02 144.49 40.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.406 -178.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.749 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -71.28 156.89 39.0 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.864 178.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -52.56 35.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.47 84.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.196 0.522 . . . . 0.0 112.17 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.408 ' CD ' HH22 ' B' ' 635' ' ' ARG . 9.5 mt-10 -79.37 -25.96 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 538' ' ' SER . 71.0 t80 -53.4 -45.97 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.72 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 1.039 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -65.42 -34.53 78.51 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.862 0.363 . . . . 0.0 111.539 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -66.91 -42.83 84.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.507 HG22 HD21 ' B' ' 549' ' ' LEU . 44.3 t -70.31 -42.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.341 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 642' ' ' LEU . 44.8 t -60.68 -49.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.753 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -63.9 -35.5 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.077 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.569 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -61.22 -51.22 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.9 mt -68.25 -29.65 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.63 74.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.032 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 22.8 mmt85 -64.53 -49.25 72.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.397 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.425 ' CD ' ' HE ' ' A' ' 557' ' ' ARG . 3.6 mt-10 -68.0 -32.92 73.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.491 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.43 -19.41 56.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.021 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.36 -53.05 4.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.866 0.365 . . . . 0.0 111.155 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 1.7 m -80.83 160.69 65.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.228 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 18.8 Cg_endo -64.28 125.87 15.95 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 N-CA-C 109.146 -1.136 . . . . 0.0 109.146 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.425 ' HE ' ' CD ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -156.04 -41.72 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.03 0.443 . . . . 0.0 110.469 -177.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -88.87 122.47 32.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -19.78 21.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.867 0.365 . . . . 0.0 111.78 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -89.56 -49.73 6.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.927 0.394 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 628' ' ' GLU . 3.0 p -104.76 129.81 24.28 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 7.8 Cg_exo -73.45 89.45 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.055 2.503 . . . . 0.0 112.15 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 5.6 p -84.13 -36.25 23.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -56.18 -48.43 76.36 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.16 -28.54 41.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -70.49 -39.63 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.197 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.15 -14.7 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -15.21 57.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.983 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.652 HG12 ' HD2' ' A' ' 577' ' ' ARG . 5.3 mt -86.23 140.84 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -88.7 123.82 67.02 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.9 Cg_endo -67.79 15.62 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.532 ' H ' ' C ' ' A' ' 570' ' ' LEU . 48.2 p -107.64 -10.56 15.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.15 -122.62 0.08 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.71 16.02 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.766 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -92.56 -7.9 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.764 0.316 . . . . 0.0 110.29 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -37.09 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.652 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.92 -38.4 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.15 0.5 . . . . 0.0 110.347 178.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.08 -45.27 89.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.844 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.75 76.37 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.701 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 47.7 m -64.46 -41.24 96.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.822 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.91 80.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.778 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.465 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 1.9 pt -94.3 7.03 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.538 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER 59.67 40.14 20.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.52 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -82.34 -75.45 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.536 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.99 -64.92 2.66 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.933 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -81.26 -15.79 54.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.58 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 9.2 m-20 -69.06 -23.5 64.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -58.51 -26.09 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.04 -33.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.275 0.56 . . . . 0.0 110.326 179.08 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.468 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -67.64 -36.3 80.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.346 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.641 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 87.8 m-85 -67.56 -43.1 81.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.664 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.62 -32.5 69.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.98 99.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.225 0.536 . . . . 0.0 110.691 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.714 ' HB2' HG22 ' A' ' 616' ' ' ILE . 21.6 t-20 -79.48 -18.77 51.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.239 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 102.91 17.82 17.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.641 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 1.7 mt -99.03 105.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.797 0.332 . . . . 0.0 111.382 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.2 19.68 2.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.374 0.607 . . . . 0.0 110.078 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.89 153.16 40.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.15 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.466 ' HG3' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.58 163.63 21.35 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 88.19 -51.1 3.96 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -34.5 78.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 630' ' ' PHE . 7.5 ttp -60.4 -37.45 80.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.572 178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mt -68.32 -39.89 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.511 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.59 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.43 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 27.6 mm-40 -66.02 -34.72 78.74 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.943 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.939 ' HA ' HD11 ' A' ' 612' ' ' ILE . 91.1 t80 -65.31 -39.12 92.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.81 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.71 64.28 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.96 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -80.04 -20.88 44.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.601 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.9 m-70 -118.33 -66.97 1.02 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 38.3 t30 85.05 -31.13 0.06 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.188 0.93 . . . . 0.0 109.582 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -102.6 25.32 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.939 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -51.26 -56.69 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.777 -178.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.407 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.7 m-85 -57.7 -40.84 80.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.367 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -38.3 87.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.21 0.528 . . . . 0.0 110.397 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -42.8 68.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.005 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.714 HG22 ' HB2' ' A' ' 594' ' ' ASN . 41.4 pt -68.97 -23.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.416 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 109.48 30.4 3.58 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.799 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.64 146.85 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.7 t0 -63.8 124.22 20.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 4.7 m -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.975 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -6.08 52.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.593 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 25.0 mtpt -129.92 -2.08 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.614 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.5 tp -53.66 -44.65 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -41.24 89.85 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 0.2 OUTLIER -70.93 -37.16 72.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.981 0.42 . . . . 0.0 110.869 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.593 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.0 m-85 -68.26 -46.45 70.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.777 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.417 ' O ' HD23 ' A' ' 631' ' ' LEU . 6.8 m-85 -65.62 -34.8 79.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.799 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.6 OUTLIER -64.98 -50.96 64.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.19 87.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.742 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.58 -46.94 87.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.231 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.664 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.7 mm? -63.51 -44.57 93.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 13.1 m -58.47 -44.57 89.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.99 -38.45 82.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.069 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 5.6 mmt180 -66.87 -45.12 79.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.7 mt -61.67 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.29 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.13 -35.69 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.693 0.283 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.81 -29.03 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -31.55 72.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.526 0.679 . . . . 0.0 110.04 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -7.2 36.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.71 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 1.039 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -61.23 119.44 45.88 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.566 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 N--CA 1.46 -0.466 0 C-N-CA 122.973 2.449 . . . . 0.0 111.374 178.792 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.749 ' CE2' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 121.404 0.621 . . . . 0.0 111.487 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 59.1 m -121.9 130.66 53.53 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.657 ' HE1' HD21 ' B' ' 631' ' ' LEU . 55.1 m-85 -88.21 128.89 35.46 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.465 0.65 . . . . 0.0 111.293 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -108.04 127.18 53.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.589 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.88 100.79 4.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.176 0.512 . . . . 0.0 110.162 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.422 HD23 HD21 ' B' ' 537' ' ' LEU . 13.0 tp -87.03 138.2 31.7 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.644 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 121.54 33.38 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.457 HD11 HG21 ' B' ' 545' ' ' VAL . 0.4 OUTLIER -120.6 129.82 53.91 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.461 ' CB ' ' HE2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -83.38 158.05 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -47.97 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.99 67.38 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.48 -31.33 70.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.059 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.448 ' HD1' ' CB ' ' B' ' 537' ' ' LEU . 75.7 t80 -58.6 -52.85 63.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.144 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.79 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.6 OUTLIER -64.45 -34.31 77.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.98 -44.63 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.753 179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.457 HG21 HD11 ' B' ' 537' ' ' LEU . 45.1 t -69.93 -43.34 79.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.048 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.9 t -59.77 -49.48 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.147 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.2 OUTLIER -69.14 -35.92 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.727 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.608 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.0 OUTLIER -57.87 -50.9 71.75 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.665 0.269 . . . . 0.0 111.167 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.608 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 8.1 mt -71.15 -29.3 65.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.921 0.391 . . . . 0.0 110.665 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.37 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.049 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.9 mmt85 -64.54 -46.88 80.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.68 -33.13 74.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.258 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -78.87 -23.54 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.46 -53.38 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.061 0.458 . . . . 0.0 111.178 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.07 157.43 45.61 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 126.41 22.43 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 121.091 1.194 . . . . 0.0 109.233 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -36.04 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.082 0.467 . . . . 0.0 110.307 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.78 134.53 34.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -36.07 11.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.152 0.501 . . . . 0.0 111.168 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.403 ' HZ3' ' HA ' ' B' ' 625' ' ' LYS . 1.6 t90 -77.4 -77.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.467 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.1 p -80.52 128.08 73.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.333 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 8.8 Cg_exo -72.56 82.62 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.476 . . . . 0.0 112.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 1.9 p -79.41 -27.34 41.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.567 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -38.9 73.27 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.616 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.668 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -83.32 -27.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -66.67 -41.61 88.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.796 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.1 p -74.13 -19.01 60.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.92 -19.21 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.826 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -78.95 135.43 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.764 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -79.92 121.89 82.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.228 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' B' ' 570' ' ' LEU . 38.2 Cg_endo -68.59 21.03 0.14 Allowed 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 123.197 2.598 . . . . 0.0 112.205 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.6 p -108.92 -8.02 15.33 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.739 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -93.77 -124.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.179 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -136.71 173.83 21.89 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.903 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -75.32 -6.54 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.586 0.232 . . . . 0.0 111.138 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -41.19 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.126 0.488 . . . . 0.0 110.224 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.621 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.58 81.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.853 179.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -64.48 -47.56 78.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.209 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.66 94.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.214 0.53 . . . . 0.0 109.704 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 67.5 m -63.97 -44.41 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.066 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.668 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.19 -40.16 76.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.463 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' B' ' 626' ' ' TYR . 1.1 pt -92.87 6.25 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.128 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 56.67 41.64 28.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.493 0.663 . . . . 0.0 110.021 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.453 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -65.96 -61.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.309 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 122.26 -119.54 4.02 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 26.27 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.999 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.57 -22.51 65.26 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.103 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.541 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.92 -25.07 56.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.36 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -60.79 -33.44 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 121.327 0.584 . . . . 0.0 109.611 178.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 0.8 OUTLIER -71.29 -41.06 70.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.353 179.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.541 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 96.8 m-85 -66.45 -40.71 89.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.753 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.84 -37.74 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.441 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.62 91.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.822 ' HB2' HG22 ' B' ' 616' ' ' ILE . 5.1 t-20 -83.87 -13.15 54.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.77 49.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' B' ' 575' ' ' LEU . 6.4 mt -94.6 94.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.746 0.308 . . . . 0.0 110.422 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.76 21.52 3.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.123 0.487 . . . . 0.0 110.357 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.52 50.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.351 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.68 148.19 28.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.51 -50.93 4.11 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -40.34 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -39.48 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.67 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.51 -39.45 82.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.543 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -61.72 -39.93 93.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 36.4 mm-40 -64.8 -36.31 83.91 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.613 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.691 ' HA ' HD11 ' B' ' 612' ' ' ILE . 12.7 t80 -62.28 -45.33 93.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.74 -44.36 90.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.008 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -79.8 -18.34 51.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -112.88 -59.25 2.04 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.388 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 7.3 t30 80.41 -33.02 0.12 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.702 0.801 . . . . 0.0 110.446 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -109.16 26.7 10.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.2 OUTLIER -52.5 -59.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 113.063 -178.283 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.7 m-85 -58.38 -38.48 77.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 111.142 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.99 -37.09 81.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.269 0.557 . . . . 0.0 110.289 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 615' ' ' ARG . 0.0 OUTLIER -69.68 -41.36 75.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.55 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.7 pt -72.27 -23.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.45 30.35 3.35 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.97 -1.109 . . . . 0.0 113.454 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 616' ' ' ILE . 17.2 mm -69.38 142.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.58 128.31 35.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -62.47 -27.93 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.109 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -9.73 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -120.59 -10.77 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.486 . . . . 0.0 110.443 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 6.1 tp -53.89 -44.01 70.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.626 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.71 87.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.287 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.403 ' HA ' ' HZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.3 -35.92 82.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.139 0.495 . . . . 0.0 110.801 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.661 ' HD1' HD12 ' B' ' 582' ' ' ILE . 19.9 m-85 -67.14 -51.13 57.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.476 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 12.3 m-85 -64.75 -32.59 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.634 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.545 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.3 OUTLIER -61.95 -50.32 72.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.426 0.632 . . . . 0.0 109.624 178.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' B' ' 561' ' ' VAL . . . -67.94 -39.08 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.235 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -57.72 -49.58 76.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.911 179.521 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' B' ' 532' ' ' PHE . 3.1 mm? -64.34 -42.98 95.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.094 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 66.7 m -60.11 -46.64 88.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.799 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.4 OUTLIER -64.43 -41.64 96.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.489 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -59.95 -41.98 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.621 ' NH1' ' HB3' ' B' ' 631' ' ' LEU . 0.7 OUTLIER -61.87 -45.24 94.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.796 HD13 ' HB3' ' B' ' 567' ' ' SER . 21.7 mt -64.25 -46.62 92.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.68 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.23 -45.23 84.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.38 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.03 -37.13 67.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.55 -24.77 66.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.35 -39.75 92.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.621 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -92.76 -5.22 51.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.068 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.79 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.1 tp -62.12 117.29 28.29 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.438 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.94 59.18 4.62 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.025 2.483 . . . . 0.0 112.402 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.527 ' HD2' ' HB ' ' B' ' 543' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.772 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 121.513 0.673 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.8 148.39 51.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.722 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.682 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 8.4 m-30 -96.2 133.94 39.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.714 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -122.55 145.06 48.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.122 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 111.17 19.08 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.326 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' B' ' 542' ' ' TYR . 26.5 tp -95.97 137.87 34.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.54 120.36 32.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.181 0.515 . . . . 0.0 110.77 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -122.86 124.46 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.404 179.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 97.7 p -77.06 156.79 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -59.24 -27.31 65.66 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.88 61.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.927 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.1 OUTLIER -83.33 -29.62 28.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 546' ' ' VAL . 83.1 t80 -53.82 -43.98 69.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.418 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.795 HG22 ' HG ' ' A' ' 642' ' ' LEU . 6.7 p -68.31 -35.16 77.39 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.536 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.57 84.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.765 HG22 ' HE2' ' B' ' 548' ' ' PHE . 21.8 t -70.86 -42.64 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.693 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 542' ' ' TYR . 41.6 t -60.91 -49.1 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.361 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.4 OUTLIER -68.51 -34.65 76.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.197 -179.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.611 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.2 t80 -60.87 -51.84 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.9 mt -72.26 -25.85 61.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.563 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.0 76.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.5 mmt-85 -68.79 -39.5 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.529 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.8 -36.1 79.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.696 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.87 -32.0 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.448 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 567' ' ' SER . 27.8 mtmt -72.93 -60.25 2.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.099 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.414 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 19.6 t -80.66 120.42 79.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 1.4 Cg_endo -44.28 126.47 6.57 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 113.531 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.59 9.97 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -112.99 140.99 47.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -73.1 0.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.418 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.4 OUTLIER -73.07 -42.76 62.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.335 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.6 p -90.42 120.92 68.97 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 111.675 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.488 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 10.0 Cg_exo -72.37 98.39 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.204 2.603 . . . . 0.0 111.224 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -30.68 30.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.68 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.73 -49.07 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.134 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.38 -31.36 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.266 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.754 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -68.98 -39.73 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.681 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 554' ' ' LYS . 2.3 p -75.27 -14.06 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.528 . . . . 0.0 110.297 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -21.08 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -86.63 135.12 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.802 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.6 129.59 65.02 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.802 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.1 Cg_endo -66.41 15.45 0.11 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 112.876 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 570' ' ' LEU . 26.1 p -108.1 -0.72 20.95 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.203 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.04 -111.94 0.16 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.401 ' HA2' ' N ' ' A' ' 599' ' ' MET . . . -144.55 -167.72 12.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.716 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.473 ' O ' HD22 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -101.09 -1.46 34.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.911 0.356 . . . . 0.0 110.554 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -47.27 75.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.437 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -68.46 -37.83 80.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.497 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.67 -43.67 98.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -64.25 -41.55 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.342 179.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 83.0 m -61.57 -40.1 93.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.05 -38.31 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.321 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 625' ' ' LYS . 6.5 pt -100.36 5.06 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.735 0.303 . . . . 0.0 111.464 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.59 43.88 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -117.42 58.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.99 80.15 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.599 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -103.39 -25.05 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.529 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -74.51 -22.45 59.04 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.089 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.582 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -57.59 -25.9 60.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' A' ' 590' ' ' LEU . 1.0 OUTLIER -61.93 -33.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.523 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' A' ' 589' ' ' VAL . 1.4 mm? -64.78 -36.95 85.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 93.7 m-85 -67.76 -42.49 81.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -56.9 -36.87 70.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.311 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.21 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.432 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.746 HD22 HD11 ' A' ' 596' ' ' ILE . 45.0 t30 -80.08 -11.63 59.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.584 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.67 22.24 26.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.951 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.746 HD11 HD22 ' A' ' 594' ' ' ASN . 3.7 mt -100.14 98.98 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.921 0.391 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.13 16.58 3.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.059 0.457 . . . . 0.0 110.749 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 150.4 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.738 ' SD ' ' HA ' ' A' ' 571' ' ' PRO . 1.3 ttt -82.49 152.35 26.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.6 -47.34 2.79 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.04 -38.86 90.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.497 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -63.99 -34.13 77.29 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.743 178.375 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.559 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.3 mt -68.11 -39.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -60.98 -41.5 96.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.393 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.4 -34.68 78.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.114 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.6 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.2 t80 -64.86 -36.54 84.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.786 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.35 -47.05 87.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.092 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.51 -40.83 28.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.342 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 94.5 m-70 -126.65 128.81 47.32 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.505 HD21 ' HD2' ' A' ' 532' ' ' PHE . 25.6 t-20 -91.09 -11.57 38.22 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.552 0.691 . . . . 0.0 110.474 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.39 33.39 4.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.193 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -53.93 -57.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 112.028 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.462 ' CE2' ' HZ ' ' A' ' 591' ' ' PHE . 2.1 m-85 -58.92 -38.9 80.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.283 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.402 ' HG3' ' OH ' ' A' ' 627' ' ' TYR . 13.8 mt-10 -67.94 -36.45 80.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -42.1 74.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.51 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.505 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.2 pt -69.79 -25.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.571 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.76 35.52 2.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.596 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 591' ' ' PHE . 16.9 mm -67.14 145.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.7 125.37 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.533 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.79 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.64 -26.16 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.08 66.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.267 0.556 . . . . 0.0 110.551 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.519 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 29.6 mtmm -122.21 3.43 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.18 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.79 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 15.6 tp -59.87 -43.42 94.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.077 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -48.89 77.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.519 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.55 -33.68 76.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.101 179.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -52.7 63.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.05 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.682 ' HB3' ' HZ ' ' A' ' 532' ' ' PHE . 15.9 m-85 -66.2 -32.46 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.153 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -45.49 78.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.629 0.252 . . . . 0.0 110.505 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.35 77.87 Favored 'General case' 0 CA--C 1.524 -0.034 0 CA-C-O 121.251 0.548 . . . . 0.0 109.817 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.217 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.485 HD11 HD22 ' B' ' 537' ' ' LEU . 0.4 OUTLIER -66.29 -41.14 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.346 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.77 87.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.743 0.306 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.754 ' HD2' HG13 ' A' ' 566' ' ' VAL . 7.0 t80 -63.38 -39.0 93.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.248 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . 0.559 ' HE1' HG23 ' A' ' 603' ' ' ILE . 2.6 t80 -60.12 -38.21 82.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.88 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.2 OUTLIER -67.1 -45.43 77.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' A' ' 553' ' ' ALA . 16.1 mt -64.83 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.76 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.519 ' HG2' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.04 -46.96 82.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.272 -179.202 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . 0.496 ' HG3' HD13 ' A' ' 642' ' ' LEU . 5.5 tp10 -69.48 -35.78 75.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.749 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.43 -26.36 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.709 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.9 mtt -64.71 -41.76 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.218 0.532 . . . . 0.0 110.094 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -5.73 39.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.996 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.76 127.72 91.91 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.103 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 C-N-CA 123.16 2.574 . . . . 0.0 110.804 177.862 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.634 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 4.4 p90 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 141.31 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.651 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.464 ' HE2' HD21 ' B' ' 631' ' ' LEU . 23.0 m-85 -87.05 146.52 26.06 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.143 0.497 . . . . 0.0 110.926 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.89 126.39 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.658 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.62 110.1 22.73 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.461 HD13 ' HE1' ' A' ' 542' ' ' TYR . 1.6 tp -106.73 140.31 39.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.335 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.85 121.59 33.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.221 0.534 . . . . 0.0 109.57 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.485 HD22 HD11 ' A' ' 631' ' ' LEU . 0.6 OUTLIER -115.37 143.09 45.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.23 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.644 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -74.43 154.72 38.64 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -36.07 67.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.876 0.762 . . . . 0.0 112.026 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.65 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.064 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.58 -31.53 47.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.318 0.58 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 535' ' ' LEU . 83.2 t80 -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.675 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.6 p -60.46 -35.67 76.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -44.51 87.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 549' ' ' LEU . 93.2 t -70.17 -43.24 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.289 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.99 -50.91 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -65.37 -34.46 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.742 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.765 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.4 t80 -59.36 -48.42 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.1 mt -71.6 -32.47 68.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.6 78.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.938 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 0.1 OUTLIER -62.78 -45.92 90.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.361 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.482 ' HA ' ' NH1' ' B' ' 557' ' ' ARG . 2.9 mt-10 -67.5 -32.47 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.91 -27.08 49.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.131 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.4 -47.25 14.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.124 0.488 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.611 ' HB ' HH11 ' B' ' 557' ' ' ARG . 58.7 t -84.91 131.21 49.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.7 ' HD3' ' HG2' ' B' ' 564' ' ' GLN . 10.1 Cg_endo -53.01 128.11 27.67 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.492 2.128 . . . . 0.0 112.127 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . 0.611 HH11 ' HB ' ' B' ' 555' ' ' VAL . 1.3 mpt_? -136.86 -32.74 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.91 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -105.67 151.01 24.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -48.51 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.709 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -28.92 66.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.699 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.511 HG23 HG22 ' B' ' 582' ' ' ILE . 7.5 p -120.79 96.74 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.418 0.627 . . . . 0.0 109.478 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.651 ' HB2' HG12 ' B' ' 565' ' ' VAL . 32.4 Cg_exo -58.73 106.91 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.822 2.348 . . . . 0.0 111.758 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -39.76 30.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.663 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.7 ' HG2' ' HD3' ' B' ' 556' ' ' PRO . 1.3 tm0? -58.62 -49.95 75.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.849 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' B' ' 562' ' ' PRO . 11.0 p -65.06 -31.3 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.74 HG13 ' HD2' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -67.06 -42.87 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.645 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.737 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -73.18 -13.75 61.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.473 0.654 . . . . 0.0 110.08 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.61 -14.66 54.39 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 4.3 mt -83.57 140.09 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.613 HD13 ' HD2' ' B' ' 571' ' ' PRO . 1.1 mm? -90.71 121.48 68.16 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.698 ' HB3' ' HE1' ' B' ' 633' ' ' PHE . 56.2 Cg_endo -69.72 27.89 0.18 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.229 2.62 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.482 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.8 p -108.86 -17.78 13.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.66 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.9 -110.95 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.43 -170.91 12.89 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.569 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.464 HD21 HG22 ' B' ' 596' ' ' ILE . 0.0 OUTLIER -98.74 2.72 47.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.643 0.258 . . . . 0.0 111.155 -178.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -46.75 76.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.073 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -38.37 90.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.372 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -63.42 -46.46 86.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.241 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.447 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.06 -40.53 96.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.479 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -61.09 -41.77 97.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.305 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.19 81.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.112 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.511 HG22 HG23 ' B' ' 561' ' ' VAL . 5.6 pt -94.97 6.39 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.52 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mttm 60.74 40.91 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.299 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -117.22 53.4 0.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.449 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -71.89 -6.95 64.9 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.961 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -17.16 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.504 0.652 . . . . 0.0 110.848 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.465 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.5 OUTLIER -73.85 -21.72 60.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.071 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.7 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.1 OUTLIER -57.19 -25.57 59.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.828 179.009 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -59.14 -33.23 49.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.296 0.569 . . . . 0.0 110.112 179.115 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -69.56 -35.62 75.56 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.647 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.7 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 95.9 m-85 -67.37 -43.13 82.18 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.634 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.99 -31.52 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.058 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.01 95.84 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.7 t30 -82.68 -10.04 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.39 20.21 35.96 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.185 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.464 HG22 HD21 ' B' ' 575' ' ' LEU . 6.5 mt -98.47 94.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 16.06 4.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.381 0.61 . . . . 0.0 109.663 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 149.32 40.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 2.3 mmt -83.17 139.67 33.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 116.13 -53.51 0.62 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.56 -35.69 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.16 0.505 . . . . 0.0 109.79 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.85 -43.51 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.008 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.48 -40.71 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.929 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -63.66 -44.16 94.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.99 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.22 -35.53 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.486 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' B' ' 612' ' ' ILE . 73.6 t80 -62.2 -38.84 90.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.707 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -37.59 80.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.604 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -76.61 -36.31 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.568 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -111.37 -134.92 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.614 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 175.49 -38.06 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -99.78 33.47 2.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.88 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 606' ' ' PHE . 1.1 mp -52.41 -57.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.66 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.422 ' CE2' ' HZ ' ' B' ' 591' ' ' PHE . 2.2 m-85 -60.99 -41.61 96.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.052 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.422 ' CG ' HD21 ' B' ' 623' ' ' LEU . 5.9 mt-10 -62.71 -40.24 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 0.0 110.596 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -43.08 73.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.765 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.564 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.8 pt -66.23 -25.3 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . 0.469 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 114.4 27.66 3.29 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.153 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' B' ' 591' ' ' PHE . 16.3 mm -65.91 144.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -64.65 121.66 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.067 0.46 . . . . 0.0 110.706 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.711 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.9 OUTLIER -62.14 -24.02 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.53 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -15.43 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.363 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 8.4 mtmm -117.69 -1.09 11.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 2.6 tp -55.6 -45.35 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.416 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.579 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -61.2 -48.93 79.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.389 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' B' ' 582' ' ' ILE . 0.0 OUTLIER -67.19 -33.69 75.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.384 0.611 . . . . 0.0 109.93 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.454 ' N ' ' HG2' ' B' ' 625' ' ' LYS . 0.2 OUTLIER -64.98 -53.67 42.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.208 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.82 -32.39 73.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 624' ' ' SER . 8.5 tp10 -58.75 -51.48 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.83 -44.34 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.148 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.407 ' HE2' HD13 ' B' ' 612' ' ' ILE . 2.4 t80 -57.49 -49.9 74.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 3.9 mm? -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.27 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 75.6 m -60.83 -41.6 96.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.068 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.74 ' HD2' HG13 ' B' ' 566' ' ' VAL . 7.0 t80 -60.83 -46.12 91.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.815 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.76 -39.04 90.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 631' ' ' LEU . 0.1 OUTLIER -64.66 -44.82 89.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.896 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' B' ' 567' ' ' SER . 54.2 mt -62.83 -44.88 99.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.098 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.18 -43.57 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.28 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' B' ' 641' ' ' LYS . 3.9 tp10 -65.62 -36.26 83.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.757 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.56 -26.33 67.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.814 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 16.9 mtt -67.4 -32.04 72.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.581 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -94.97 -8.64 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.858 179.349 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.757 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.5 tp -69.54 122.97 87.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.414 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.69 60.02 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.676 2.251 . . . . 0.0 111.365 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.574 0 CA-C-O 121.161 0.505 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 133.31 40.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 7.2 m-85 -92.2 131.7 37.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.25 125.95 50.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 91.57 8.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.107 0.479 . . . . 0.0 109.796 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.34 147.71 22.85 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.183 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.85 122.49 35.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.804 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.4 mm? -117.64 130.12 56.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.435 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.557 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -73.27 157.88 36.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.196 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -46.97 -55.99 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.04 97.28 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.43 -33.63 73.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 0.0 110.259 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' B' ' 535' ' ' LEU . 71.1 t80 -62.84 -51.13 68.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.347 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.928 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -66.22 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.905 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -64.6 -43.63 93.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.4 ' CG2' HD11 ' B' ' 549' ' ' LEU . 69.9 t -71.34 -43.11 73.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 111.59 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 542' ' ' TYR . 54.4 t -60.79 -49.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.19 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -68.58 -34.82 76.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.558 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -59.0 -49.77 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.118 0.485 . . . . 0.0 110.695 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.4 mt -71.43 -26.99 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.248 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.79 82.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.465 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.3 mmt85 -67.95 -42.01 81.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.23 0.538 . . . . 0.0 110.23 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -67.38 -33.88 76.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.62 -24.86 49.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.523 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -81.41 -48.36 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.386 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.65 121.79 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.97 129.42 33.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.825 2.35 . . . . 0.0 112.608 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.72 22.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.877 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -126.19 139.32 53.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -10.4 10.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.569 0.7 . . . . 0.0 109.125 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.485 ' HH2' ' HB2' ' A' ' 624' ' ' SER . 34.8 t90 -92.93 -44.37 8.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.763 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.426 HG11 ' HG2' ' A' ' 628' ' ' GLU . 2.2 p -119.15 130.73 24.68 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.334 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 564' ' ' GLN . 3.3 Cg_exo -77.7 65.6 8.14 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.91 2.406 . . . . 0.0 112.453 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -72.51 -22.0 61.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 562' ' ' PRO . 0.0 OUTLIER -55.88 -48.56 75.36 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.96 0.409 . . . . 0.0 111.537 -179.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 569' ' ' ILE . 7.5 p -74.62 -25.85 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.38 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.742 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.53 -42.4 93.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.292 -179.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.606 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -71.17 -16.33 62.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.399 0.619 . . . . 0.0 110.21 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -84.26 -16.97 41.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.606 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 566' ' ' VAL . 15.5 mt -78.31 139.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.151 0.5 . . . . 0.0 111.22 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.724 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -95.03 119.93 65.11 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.414 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.724 ' HD2' HD13 ' A' ' 570' ' ' LEU . 58.5 Cg_endo -70.91 25.71 0.21 Allowed 'Trans proline' 0 N--CA 1.472 0.21 0 C-N-CA 122.993 2.462 . . . . 0.0 112.21 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 62.8 p -109.16 -16.68 14.04 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.693 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.5 -19.4 19.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 133.67 -147.12 18.92 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.571 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -121.88 3.56 9.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 110.032 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -45.83 77.3 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.746 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.431 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.04 -44.14 91.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.921 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -65.44 -38.94 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 20.5 m -65.51 -36.86 85.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.881 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.64 77.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.166 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 626' ' ' TYR . 19.6 pt -98.31 5.35 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.751 0.31 . . . . 0.0 111.297 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 40.62 12.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.751 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -112.46 54.29 0.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.251 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -72.89 6.76 11.36 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -108.7 -24.23 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.775 0.787 . . . . 0.0 110.562 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.25 -21.57 59.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.142 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.617 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.94 -25.42 57.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.228 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.537 HG12 HD22 ' A' ' 590' ' ' LEU . 1.6 p -60.05 -34.13 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.245 0.545 . . . . 0.0 109.932 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.537 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -66.36 -39.31 89.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 77.3 m-85 -67.7 -42.83 81.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.129 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -40.97 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.208 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.12 96.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.249 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.436 HD22 HD11 ' A' ' 596' ' ' ILE . 7.8 t30 -82.57 -11.25 58.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.167 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.97 16.5 56.02 Favored Glycine 0 CA--C 1.511 -0.168 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.292 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.571 HG22 ' CD2' ' A' ' 575' ' ' LEU . 8.1 mt -93.98 106.4 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.93 0.395 . . . . 0.0 111.457 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -167.38 22.87 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.64 172.45 9.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.58 . . . . 0.0 112.317 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.22 135.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.883 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.91 -28.89 2.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.935 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -64.04 -46.13 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.747 0.419 . . . . 0.0 110.432 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.131 178.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.482 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.6 mt -68.06 -40.79 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.545 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.06 -44.8 91.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.64 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.482 ' HB3' HG12 ' A' ' 612' ' ' ILE . 63.9 mm-40 -61.8 -39.75 92.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.677 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.947 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.0 t80 -63.73 -42.51 97.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.756 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 20.3 mt-10 -70.54 -42.04 71.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -78.2 -28.7 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 610' ' ' ASN . 5.9 m-70 -122.93 -54.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 609' ' ' HIS . 35.8 m-80 79.13 -34.79 0.16 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.235 0.614 . . . . 0.0 109.9 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 609' ' ' HIS . 5.1 p-10 -94.5 20.43 8.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.947 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.3 OUTLIER -49.96 -58.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.29 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.465 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.0 m-85 -57.8 -44.11 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.989 0.423 . . . . 0.0 111.241 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 623' ' ' LEU . 1.1 mm-40 -63.47 -39.98 95.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.411 0.624 . . . . 0.0 110.467 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -70.47 -42.63 71.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.24 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.1 pt -67.31 -26.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.604 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.417 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.45 36.03 1.82 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.561 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.1 mm -67.44 144.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.802 0.301 . . . . 0.0 110.689 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 129.97 41.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.7 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -65.2 -26.79 68.29 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -177.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -22.12 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.107 0.479 . . . . 0.0 111.043 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.67 7.77 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.7 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 24.3 tp -61.9 -42.77 99.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.485 ' HB2' ' HH2' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -63.16 -48.25 79.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.4 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.45 -34.14 76.59 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.892 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -60.88 -52.28 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.599 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -66.74 -32.35 73.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.837 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG2' HG11 ' A' ' 561' ' ' VAL . 3.5 tp10 -61.89 -49.84 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.199 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.19 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.505 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -61.09 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.264 -179.186 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 631' ' ' LEU . 0.5 OUTLIER -58.67 -44.15 90.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.898 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 3.2 m -64.01 -41.33 97.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.327 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.742 ' HD1' HG13 ' A' ' 566' ' ' VAL . 10.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.705 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -61.87 -40.91 97.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -63.66 -45.37 90.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.606 HD13 ' HB3' ' A' ' 567' ' ' SER . 38.7 mt -62.78 -46.37 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 110.099 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -59.41 -44.31 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.582 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.446 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -59.2 -29.34 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.565 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 4.3 mtm -66.16 -34.93 79.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.663 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -5.55 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.706 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.928 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.6 tp -63.66 123.67 82.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.233 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 19.7 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 C-N-CA 122.992 2.461 . . . . 0.0 111.172 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.492 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.2 p90 . . . . . 0 N--CA 1.446 -0.626 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 148.75 30.7 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.71 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -115.61 137.33 52.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 5.5 mtp180 -131.23 141.61 50.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.331 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.56 143.14 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.697 0.284 . . . . 0.0 111.388 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.5 tp -133.96 140.45 46.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.84 124.19 36.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.536 0.684 . . . . 0.0 111.533 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -119.66 126.9 52.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.911 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 156.18 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -42.24 63.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.57 91.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.71 -29.37 36.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.768 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 546' ' ' VAL . 68.2 t80 -54.91 -51.59 65.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.047 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.713 HG22 ' HG ' ' B' ' 642' ' ' LEU . 9.3 p -62.12 -37.12 83.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.805 0.336 . . . . 0.0 111.735 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -66.38 -44.71 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.464 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.9 t -70.74 -41.49 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.26 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.6 t -59.79 -50.42 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.42 -39.03 93.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.696 -179.489 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.8 OUTLIER -58.81 -48.82 79.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.3 mt -71.29 -35.65 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.55 83.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.5 mmt180 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.551 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 548' ' ' PHE . 24.2 mm-40 -68.38 -32.59 72.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.569 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.65 -27.93 55.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.889 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -73.11 -32.68 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.614 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.35 112.76 59.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.583 ' HB3' ' HB3' ' B' ' 564' ' ' GLN . 20.7 Cg_endo -61.24 126.59 19.74 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.123 1.882 . . . . 0.0 112.857 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 8.59 4.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.187 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -130.65 125.72 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.645 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -14.32 26.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.686 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 8.7 t90 -70.33 -52.86 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.345 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.8 p -115.09 123.48 31.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.193 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 16.3 Cg_exo -68.17 85.07 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.11 2.54 . . . . 0.0 112.564 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.95 -19.08 22.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.17 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.583 ' HB3' ' HB3' ' B' ' 556' ' ' PRO . 4.3 pm0 -62.3 -47.59 83.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.807 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.5 p -78.72 -26.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.648 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.726 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -65.0 -39.43 85.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.431 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.535 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.83 -14.15 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.203 0.525 . . . . 0.0 110.793 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -87.87 -15.99 35.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.428 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.855 HG12 ' HD2' ' B' ' 577' ' ' ARG . 25.1 mt -76.24 137.73 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.301 0.572 . . . . 0.0 111.933 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.685 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -93.75 121.26 64.91 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 177.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.685 ' HD2' HD13 ' B' ' 570' ' ' LEU . 35.1 Cg_endo -66.99 15.43 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 122.955 2.437 . . . . 0.0 112.516 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.5 p -107.87 0.22 21.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -16.91 15.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.451 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 120.03 -151.07 17.44 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.546 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -115.03 -8.87 12.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.007 0.404 . . . . 0.0 110.735 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.59 74.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.926 0.393 . . . . 0.0 111.461 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.855 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.15 -37.05 83.73 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.152 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.78 -42.62 90.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.858 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -63.83 -44.4 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.5 m -62.03 -38.81 90.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.952 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.18 -42.4 77.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.194 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.592 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 4.9 pt -96.15 6.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.951 0.405 . . . . 0.0 110.674 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.87 41.78 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.715 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -111.88 54.06 0.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.182 0.515 . . . . 0.0 110.915 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.94 4.08 Favored Glycine 0 N--CA 1.454 -0.164 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.033 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -166.11 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.908 0.861 . . . . 0.0 108.868 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -21.07 60.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.165 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.89 -26.05 58.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.818 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.3 -33.44 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.301 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.71 -35.64 80.6 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.85 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 88.2 m-85 -67.44 -44.34 78.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.571 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.28 -35.29 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.206 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.87 83.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.437 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.624 ' HB2' HG22 ' B' ' 616' ' ' ILE . 28.8 t30 -86.55 -8.07 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.57 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.3 21.58 31.99 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.387 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.611 HD11 HD22 ' B' ' 594' ' ' ASN . 5.3 mt -104.98 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.62 17.46 1.48 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.888 0.375 . . . . 0.0 110.587 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.96 172.55 8.86 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 5.9 ptp -81.08 134.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.341 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 83.24 -28.19 3.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.47 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -42.14 81.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.903 0.382 . . . . 0.0 110.554 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -38.79 90.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -68.14 -40.52 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 109.693 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -47.05 87.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.271 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.409 ' HB3' HG21 ' B' ' 612' ' ' ILE . 4.6 mm-40 -64.27 -35.55 81.21 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.039 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.601 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.7 t80 -66.77 -36.55 82.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.502 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.397 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -77.19 -40.42 45.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.381 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.78 144.84 51.24 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -1.85 20.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.775 0.797 . . . . 0.0 109.312 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -114.07 27.25 9.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -52.55 -60.73 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.932 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.511 ' HE2' ' CD1' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.89 -38.59 76.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.201 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -38.93 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.151 0.501 . . . . 0.0 110.299 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -69.88 -41.99 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.927 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.624 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.7 pt -69.78 -24.41 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.24 3.38 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.603 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.8 mm -67.53 143.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.92 0.36 . . . . 0.0 110.166 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.818 ' HB3' ' HD2' ' B' ' 622' ' ' LYS . 15.5 t0 -66.84 124.77 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.2 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.798 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -59.31 -28.64 66.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -17.97 65.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.462 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.818 ' HD2' ' HB3' ' B' ' 619' ' ' ASP . 2.8 mttt -113.86 -10.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.065 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.798 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 12.4 tp -54.49 -45.11 73.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.748 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.686 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.52 -47.76 82.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.947 0.403 . . . . 0.0 111.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -34.61 77.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.434 0.635 . . . . 0.0 109.787 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.511 ' CD1' ' HE2' ' B' ' 613' ' ' PHE . 0.5 OUTLIER -62.33 -52.54 63.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.815 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -65.68 -32.57 74.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.446 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.1 tp10 -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.65 84.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.503 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -60.72 -49.93 75.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.116 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.557 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.7 mm? -65.52 -44.66 86.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.864 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 635' ' ' ARG . 19.3 m -63.84 -36.07 82.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.726 ' HD1' HG13 ' B' ' 566' ' ' VAL . 16.8 t80 -60.03 -42.04 93.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.668 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.64 -41.39 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.535 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.4 mt -66.07 -45.04 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.497 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.24 -47.03 84.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.151 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.563 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.5 tp10 -63.58 -37.49 87.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.0 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.05 -27.41 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -28.71 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.431 0.634 . . . . 0.0 109.768 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.25 -6.39 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.665 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.713 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.8 OUTLIER -69.3 117.06 48.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.004 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.81 -9.08 11.04 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.416 ' HG3' HG21 ' B' ' 543' ' ' THR . 4.9 mttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.054 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 1.9 m -71.33 138.23 49.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.845 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 50.3 m-85 -88.44 140.61 29.29 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.249 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.41 126.67 28.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.645 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . 0.54 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.7 115.98 21.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.959 0.409 . . . . 0.0 109.935 178.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.89 150.12 25.12 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.71 122.36 32.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 0.0 109.937 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.0 mm? -118.45 134.79 54.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.602 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.516 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.8 OUTLIER -83.0 158.43 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -43.21 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.36 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -80.6 -30.39 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.258 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 546' ' ' VAL . 74.7 t80 -55.7 -51.52 67.02 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.55 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.94 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -67.14 -33.66 75.91 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.214 0.53 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -44.24 84.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' B' ' 549' ' ' LEU . 83.8 t -70.97 -44.89 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.229 0.538 . . . . 0.0 111.771 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 542' ' ' TYR . 59.1 t -59.46 -49.5 83.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.082 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -68.85 -34.14 74.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.595 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -59.42 -50.76 72.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.179 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.595 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.3 mt -71.86 -27.62 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.45 -33.24 75.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 37.3 mmt-85 -63.28 -48.39 78.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.909 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 557' ' ' ARG . 14.8 mt-10 -65.86 -32.15 73.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.521 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -76.65 -24.55 53.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.052 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.545 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.9 mtmt -95.28 -55.96 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.323 0.582 . . . . 0.0 109.965 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.92 127.27 43.71 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.3 124.79 8.17 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.517 2.145 . . . . 0.0 112.736 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 552' ' ' GLU . 1.3 mtt180 -163.06 16.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.342 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -100.56 150.76 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -19.27 54.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.108 0.48 . . . . 0.0 109.928 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 3.1 t90 -154.95 148.25 25.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.523 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 560' ' ' TRP . 0.5 OUTLIER 81.08 135.6 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 112.402 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' A' ' 561' ' ' VAL . 78.0 Cg_endo -85.23 98.73 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.052 2.501 . . . . 0.0 111.593 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 1.7 p -79.07 -22.32 45.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.22 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.87 -48.21 75.96 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.75 -30.08 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.994 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.787 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -71.13 -38.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.475 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.466 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.0 -14.53 62.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 110.059 179.322 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -10.69 59.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.407 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.696 HG23 HH11 ' A' ' 577' ' ' ARG . 3.8 mt -92.27 141.58 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.791 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -94.5 127.95 42.03 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.205 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 570' ' ' LEU . 32.4 Cg_endo -67.55 18.96 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.215 0 C-N-CA 122.856 2.371 . . . . 0.0 112.436 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 570' ' ' LEU . 45.8 p -108.25 -13.28 14.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -97.77 -109.64 0.17 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.727 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -147.06 158.71 27.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.914 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.05 -4.89 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.671 0.388 . . . . 0.0 112.032 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 577' ' ' ARG . 0.5 OUTLIER -55.32 -38.25 68.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 120.658 0.266 . . . . 0.0 110.356 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.696 HH11 HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.55 -37.52 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 0.0 110.297 178.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.79 -45.48 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.528 ' O ' HG12 ' A' ' 582' ' ' ILE . 0.3 OUTLIER -66.35 -42.22 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 109.896 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 17.1 m -62.04 -37.17 83.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.46 76.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.26 0.552 . . . . 0.0 111.061 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.82 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -88.65 8.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.977 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.12 39.97 18.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.273 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 626' ' ' TYR . . . -81.2 -85.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.217 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.7 -47.0 2.96 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 121.085 -0.579 . . . . 0.0 114.527 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -79.74 -42.76 23.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.309 0.576 . . . . 0.0 111.814 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.67 -22.35 66.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.878 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.535 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -58.17 -25.1 61.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.092 0.473 . . . . 0.0 110.346 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.521 HG12 HD22 ' A' ' 590' ' ' LEU . 1.2 p -60.15 -34.52 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.521 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -65.25 -36.01 82.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.778 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.535 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 92.0 m-85 -68.26 -43.16 78.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.822 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.93 -40.23 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.7 80.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.407 ' HB3' HG13 ' A' ' 596' ' ' ILE . 22.2 t30 -83.55 -4.8 58.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.208 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 82.86 24.63 52.37 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.227 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.548 HG22 HD21 ' A' ' 575' ' ' LEU . 20.1 mt -89.77 -96.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.691 -0.255 . . . . 0.0 110.524 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.436 ' H ' ' HB ' ' A' ' 596' ' ' ILE . 27.5 p90 54.39 -10.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.578 1.551 . . . . 0.0 115.168 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -112.4 151.13 30.18 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.646 . . . . 0.0 110.501 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.86 135.43 34.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.987 0.422 . . . . 0.0 110.03 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 119.18 -59.58 0.52 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 604' ' ' ARG . 31.3 t70 -61.86 -34.81 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 109.977 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.785 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.466 ' N ' ' HG2' ' A' ' 602' ' ' MET . 2.3 mt -68.57 -40.88 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . 0.484 ' HD2' ' OD1' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -62.58 -39.64 94.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.944 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.2 OUTLIER -66.72 -34.07 77.04 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.972 178.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.616 ' HA ' HD11 ' A' ' 612' ' ' ILE . 18.8 t80 -64.94 -42.72 94.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.4 -42.34 92.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.0 OUTLIER -76.48 -25.2 54.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.328 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 4.6 m-70 -117.64 -133.92 0.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 0.0 111.328 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.434 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER 169.97 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -179.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -109.54 32.18 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -52.44 -54.41 15.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.749 -178.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.2 m-85 -60.92 -42.07 97.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.0 OUTLIER -63.56 -40.13 96.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.305 179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.58 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.3 pt -75.39 -19.51 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.426 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 108.96 27.62 4.79 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.371 -0.918 . . . . 0.0 113.244 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.575 HG22 HD12 ' A' ' 623' ' ' LEU . 11.6 mm -65.98 146.44 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -66.01 121.62 15.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.682 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -65.57 -28.15 68.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -15.02 61.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 110.637 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -120.5 0.71 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.682 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -55.7 -45.48 77.84 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.273 -179.151 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -40.12 91.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.547 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 0.8 OUTLIER -70.03 -38.5 75.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.159 0.505 . . . . 0.0 110.05 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.82 ' HD1' HD12 ' A' ' 582' ' ' ILE . 16.6 m-85 -67.53 -50.98 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.555 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 15.9 m-85 -65.35 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.74 -50.82 72.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.525 0.678 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.68 80.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.857 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.56 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.7 OUTLIER -55.82 -49.84 72.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.734 -179.048 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 635' ' ' ARG . 1.9 mm? -62.11 -44.77 95.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 5.0 m -55.7 -42.05 74.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.388 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.787 ' HD1' HG13 ' A' ' 566' ' ' VAL . 5.4 t80 -62.58 -44.04 97.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.49 -39.96 92.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.722 ' HD2' ' O ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -63.95 -45.64 88.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.545 HG23 ' HE2' ' A' ' 554' ' ' LYS . 34.2 mt -62.41 -47.22 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.433 . . . . 0.0 110.685 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -57.26 -46.71 82.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -37.41 86.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 0.0 110.542 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -65.93 -29.04 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.305 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.8 mtm -70.12 -30.7 67.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.169 0.509 . . . . 0.0 109.782 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.41 -4.76 44.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.712 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.9 tp -56.21 131.02 75.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.482 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--N 1.345 0.384 0 C-N-CA 123.097 2.531 . . . . 0.0 112.202 179.525 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.96 142.94 28.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.947 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.84 138.9 31.05 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.982 0.42 . . . . 0.0 110.121 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 126.44 54.17 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 117.75 28.54 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.419 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.14 142.5 34.81 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -90.92 119.32 31.02 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.329 0.585 . . . . 0.0 110.247 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.3 OUTLIER -121.45 135.19 55.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.277 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.47 156.47 20.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -40.85 77.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.73 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -80.62 -26.27 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 111.23 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' B' ' 537' ' ' LEU . 88.2 t80 -52.3 -47.37 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.296 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.943 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.0 OUTLIER -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -43.37 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.562 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.06 -43.28 76.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.474 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 642' ' ' LEU . 43.0 t -60.23 -50.74 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.65 -30.73 71.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.773 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.522 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -66.87 -48.15 69.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 13.9 mt -72.28 -30.31 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.669 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -60.99 -32.53 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.603 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt-85 -63.15 -47.61 81.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.45 . . . . 0.0 110.084 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.06 -32.45 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.508 ' O ' ' HB ' ' B' ' 563' ' ' THR . . . -76.7 -31.09 57.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.244 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -75.56 -51.17 13.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 80.4 t -105.92 107.79 60.29 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.36 127.62 9.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.449 2.766 . . . . 0.0 114.064 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 20.6 3.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.098 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.84 159.35 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.723 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 2.6 m -72.82 -28.31 62.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.179 0.514 . . . . 0.0 110.781 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.558 ' CZ3' HG23 ' B' ' 561' ' ' VAL . 33.0 t90 -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.578 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.558 HG23 ' CZ3' ' B' ' 560' ' ' TRP . 0.4 OUTLIER 80.4 126.1 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 0.0 112.096 179.02 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 71.7 Cg_endo -94.95 81.06 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 123.591 2.86 . . . . 0.0 111.508 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -70.08 -10.88 60.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.502 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -58.7 -50.28 74.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -179.234 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 569' ' ' ILE . 7.1 p -71.52 -28.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.798 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -67.06 -39.76 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.688 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.98 -14.36 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.252 0.549 . . . . 0.0 110.294 179.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.67 -17.35 48.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.203 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 7.7 mt -77.22 145.96 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.642 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -93.93 117.84 67.24 Favored Pre-proline 0 C--N 1.318 -0.804 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.642 ' HD2' HD13 ' B' ' 570' ' ' LEU . 43.7 Cg_endo -67.08 18.29 0.11 Allowed 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 123.134 2.556 . . . . 0.0 113.017 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 570' ' ' LEU . 44.7 p -108.33 -10.17 15.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -89.97 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -160.74 162.32 33.4 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.548 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.587 ' HA ' ' HE3' ' B' ' 599' ' ' MET . 0.1 OUTLIER -73.18 -3.19 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.848 0.459 . . . . 0.0 111.887 -179.205 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -41.85 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.064 0.459 . . . . 0.0 110.852 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.438 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.3 OUTLIER -68.23 -36.99 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.13 179.022 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.9 -47.73 82.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.591 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.456 HD12 HD11 ' B' ' 582' ' ' ILE . 0.3 OUTLIER -64.48 -38.33 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 58.0 m -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.713 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.2 89.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.111 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.516 HD12 ' HD1' ' B' ' 626' ' ' TYR . 3.0 pt -86.88 11.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.04 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.39 38.77 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.366 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.603 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -101.94 -107.11 0.25 Allowed 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' B' ' 579' ' ' LEU . . . 88.46 -1.25 83.97 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 114.856 0.703 . . . . 0.0 114.856 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -113.74 -13.46 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.372 1.082 . . . . 0.0 109.254 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.603 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -76.04 -22.81 55.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.757 179.196 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -56.25 -25.72 48.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.485 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.544 HG12 HD22 ' B' ' 590' ' ' LEU . 1.3 p -59.51 -34.04 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.815 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.544 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -71.82 -40.28 69.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.762 0.792 . . . . 0.0 109.043 179.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' B' ' 596' ' ' ILE . 96.3 m-85 -67.33 -39.69 85.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.506 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 32.6 t30 -62.81 -40.33 97.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.88 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.97 86.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.182 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.413 HD22 HD11 ' B' ' 596' ' ' ILE . 59.6 t30 -82.52 -8.7 59.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 84.74 25.0 43.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.336 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' B' ' 591' ' ' PHE . 19.1 mt -83.37 -89.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.818 -0.191 . . . . 0.0 110.723 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 20.6 p90 46.42 6.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 151.46 51.87 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.998 -0.439 . . . . 0.0 110.245 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' B' ' 571' ' ' PRO . 0.2 OUTLIER -82.08 142.35 32.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.147 0.499 . . . . 0.0 110.383 -179.146 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 102.04 -45.84 1.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -40.46 96.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.99 -35.14 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.682 178.7 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.473 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.8 OUTLIER -67.11 -39.53 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -43.26 91.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.396 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 2.8 mm-40 -68.29 -34.17 75.68 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.204 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.608 ' HA ' HD11 ' B' ' 612' ' ' ILE . 9.6 t80 -64.18 -41.68 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.11 -46.28 88.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' B' ' 605' ' ' GLU . 0.4 OUTLIER -78.27 -17.55 56.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.893 -179.288 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 6.5 m-70 -122.51 -140.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.258 0.552 . . . . 0.0 111.157 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 8.1 p30 175.54 -19.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' B' ' 610' ' ' ASN . 40.0 p-10 -116.05 34.88 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.181 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -55.05 -57.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.823 -178.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -58.28 -45.2 88.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.708 ' HG3' HD11 ' B' ' 623' ' ' LEU . 5.7 mt-10 -59.94 -37.66 80.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.009 0.433 . . . . 0.0 110.55 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -69.8 -41.82 74.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.455 HD11 HG12 ' B' ' 618' ' ' ILE . 35.6 pt -72.56 -9.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 97.92 30.61 7.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.377 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' B' ' 613' ' ' PHE . 1.5 mm -65.33 146.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 122.458 0.303 . . . . 0.0 110.469 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.45 120.39 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.74 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.569 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -64.8 -34.67 78.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.447 -178.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -13.21 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.763 ' HB3' ' HE2' ' B' ' 625' ' ' LYS . 23.6 mtmm -133.39 13.17 4.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.904 0.383 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.708 HD11 ' HG3' ' B' ' 614' ' ' GLU . 8.3 tp -56.02 -44.02 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.852 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -40.62 93.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' B' ' 622' ' ' LYS . 1.9 ttpt -62.69 -40.31 96.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.69 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 30.3 m-85 -67.82 -51.29 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -63.79 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.667 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -53.12 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.427 0.632 . . . . 0.0 109.564 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.64 69.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.51 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.7 t80 -55.4 -50.86 68.65 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.555 HD12 ' NH2' ' B' ' 635' ' ' ARG . 3.1 mm? -66.75 -42.27 86.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 19.7 m -61.65 -39.38 91.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.798 ' HD1' HG13 ' B' ' 566' ' ' VAL . 42.3 t80 -61.97 -45.89 91.66 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.31 -38.12 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.4 OUTLIER -62.71 -45.64 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.125 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.5 mt -64.68 -47.61 88.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' B' ' 571' ' ' PRO . 4.9 tt0 -56.9 -41.85 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.064 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.9 -42.68 89.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.054 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -59.68 -27.12 66.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.958 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -68.52 -34.84 76.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.206 0.527 . . . . 0.0 110.006 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -94.72 -6.67 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.152 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.943 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.1 tp -68.35 129.57 92.74 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.7 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.4 41.5 0.72 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.024 2.483 . . . . 0.0 111.637 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.766 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.528 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.592 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.1 p90 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.911 0.386 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.35 124.16 27.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.539 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 14.0 m-85 -90.4 131.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.01 132.12 54.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.755 0.312 . . . . 0.0 111.39 -178.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 112.38 19.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' B' ' 542' ' ' TYR . 19.4 tp -96.04 140.15 31.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.528 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.86 121.8 33.8 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.2 mm? -119.36 120.11 35.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -178.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.52 157.98 31.62 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -39.33 35.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.752 0.705 . . . . 0.0 112.36 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.94 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -31.32 50.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.063 0.459 . . . . 0.0 111.244 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.619 ' HE1' HD13 ' B' ' 535' ' ' LEU . 75.9 t80 -57.01 -50.8 71.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.899 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.764 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -64.83 -36.36 84.07 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.941 0.401 . . . . 0.0 111.806 -178.237 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -65.93 -41.77 90.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 537' ' ' LEU . 42.0 t -71.48 -42.26 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.154 0.502 . . . . 0.0 111.444 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 41.5 t -60.43 -50.89 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.201 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.8 OUTLIER -68.8 -32.54 72.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.195 -178.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.543 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -59.82 -50.28 74.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 110.632 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.683 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 15.0 mt -71.19 -27.19 63.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.726 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.88 77.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.078 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.9 mmt-85 -62.6 -48.44 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 0.0 110.245 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.639 ' HA ' ' HD2' ' A' ' 557' ' ' ARG . 12.4 mt-10 -67.72 -32.91 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.463 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.01 -37.78 46.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.098 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 636' ' ' ILE . 17.9 mttt -76.9 -55.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 0.0 110.22 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 76.9 t -94.34 123.85 57.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.674 ' HG3' ' HB3' ' A' ' 564' ' ' GLN . 82.2 Cg_exo -44.86 126.93 7.88 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.592 2.195 . . . . 0.0 112.832 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -131.39 -51.58 1.01 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.486 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -122.53 128.34 50.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.74 14.95 1.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.88 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -43.68 98.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 110.025 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.54 153.93 79.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.727 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.06 60.66 6.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.97 2.447 . . . . 0.0 111.579 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.501 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -66.7 -28.56 68.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.143 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.674 ' HB3' ' HG3' ' A' ' 556' ' ' PRO . 0.1 OUTLIER -55.44 -39.77 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 111.655 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 569' ' ' ILE . 11.4 p -89.57 -27.42 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.005 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.723 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -65.33 -40.9 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.562 ' HB3' HD13 ' A' ' 636' ' ' ILE . 1.1 p -72.45 -15.06 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -80.94 -10.77 59.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.577 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.789 HG12 ' HD2' ' A' ' 577' ' ' ARG . 1.6 mt -97.11 145.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.582 0.706 . . . . 0.0 112.244 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.0 OUTLIER -107.25 126.11 30.85 Favored Pre-proline 0 N--CA 1.44 -0.944 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.264 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 570' ' ' LEU . 48.2 Cg_endo -66.25 0.74 3.02 Favored 'Trans proline' 0 CA--C 1.521 -0.148 0 C-N-CA 122.634 2.223 . . . . 0.0 111.857 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 69.9 p -80.58 -16.65 53.63 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.861 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -101.33 9.72 41.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.016 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 108.65 -156.29 15.76 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.154 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -124.04 -8.49 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.699 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -39.37 68.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.633 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.789 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.78 -37.53 84.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.793 0.33 . . . . 0.0 110.788 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.52 -42.73 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.083 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.674 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -62.67 -44.12 97.06 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.01 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 18.0 m -60.83 -36.25 78.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.97 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.364 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 9.2 pt -96.86 8.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.992 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 65.02 39.18 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.444 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.674 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -109.42 47.19 0.94 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.39 -16.84 58.87 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 114.049 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.34 -15.23 16.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.336 0.568 . . . . 0.0 110.809 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.579 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -75.37 -24.05 57.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.973 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.08 -24.93 60.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.203 0.525 . . . . 0.0 110.116 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -59.22 -33.82 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.263 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.362 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 58.2 m-85 -68.03 -42.87 79.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.365 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.38 -40.25 81.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.083 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.54 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.167 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.551 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.1 t30 -80.86 -14.77 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.844 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.25 20.4 35.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.175 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.9 mt -95.7 104.57 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.78 10.52 0.29 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.282 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.07 172.02 8.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.071 0.462 . . . . 0.0 112.04 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.7 ptp -80.89 150.2 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.762 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.78 -48.1 3.8 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.82 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.34 -45.25 84.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.49 -46.11 91.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.615 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.512 ' HA ' ' OH ' ' A' ' 634' ' ' TYR . 2.1 mp -65.96 -42.0 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -40.19 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.956 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 8.3 mm-40 -64.81 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.076 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 90.0 t80 -66.53 -38.87 88.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 0.0 110.464 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.17 -44.81 64.76 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -79.39 -26.99 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.1 m-70 -115.37 -49.82 2.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 81.89 -39.07 0.12 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.775 0.83 . . . . 0.0 111.517 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.31 43.32 1.24 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.508 0.671 . . . . 0.0 110.228 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -56.51 -53.06 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.588 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.448 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.8 m-30 -58.08 -40.21 80.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.488 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -39.71 94.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.297 0.57 . . . . 0.0 110.377 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -42.58 75.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.376 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.551 HG22 ' HB2' ' A' ' 594' ' ' ASN . 50.3 pt -70.4 -22.99 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.78 21.51 5.35 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.858 -1.163 . . . . 0.0 114.136 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.38 143.94 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.471 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 8.2 t70 -65.85 127.91 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.938 0.399 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.718 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.32 -28.44 69.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.457 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -10.46 59.07 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 111.306 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.471 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 22.7 mtpt -122.79 -4.82 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 109.654 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 2.8 tp -54.59 -46.28 73.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.933 -177.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -63.64 -34.47 77.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.942 0.401 . . . . 0.0 111.18 -179.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 625' ' ' LYS . 2.8 m-30 -68.52 -49.07 62.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.381 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.495 ' CE2' ' HG ' ' A' ' 623' ' ' LEU . 20.6 m-85 -65.6 -32.27 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.96 -51.0 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.887 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.423 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.627 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -58.42 -48.77 79.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.264 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.46 HD11 HD22 ' B' ' 537' ' ' LEU . 0.2 OUTLIER -62.08 -45.11 94.96 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.93 89.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.723 ' HD1' HG13 ' A' ' 566' ' ' VAL . 42.6 t80 -59.94 -46.09 90.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.407 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 603' ' ' ILE . 4.4 m-30 -63.66 -37.35 87.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.965 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.683 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -64.86 -44.09 90.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.916 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.765 HD11 ' HB1' ' A' ' 553' ' ' ALA . 13.1 mt -59.26 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.646 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.14 -47.06 82.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.82 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . 0.412 ' HG3' HD13 ' A' ' 642' ' ' LEU . 26.1 tp10 -67.11 -38.01 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.078 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.701 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.74 -27.02 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.495 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.4 mtt -68.15 -35.76 78.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.08 0.467 . . . . 0.0 109.854 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -6.6 38.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.649 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.0 tp -64.4 129.5 94.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.593 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 N--CA 1.462 -0.377 0 C-N-CA 122.795 2.33 . . . . 0.0 112.081 179.429 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 121.041 0.448 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 158.52 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.825 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 30.7 m-85 -112.16 137.03 50.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 135.98 51.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.854 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.61 133.1 33.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.816 0.341 . . . . 0.0 111.497 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 542' ' ' TYR . 7.7 tp -128.74 143.01 50.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.62 121.88 34.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.25 0.548 . . . . 0.0 110.951 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -119.77 139.93 51.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.397 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.52 154.73 28.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.01 -42.94 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.47 77.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 11.3 mm-40 -80.13 -31.12 39.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.864 0.364 . . . . 0.0 111.29 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 535' ' ' LEU . 85.4 t80 -57.16 -50.8 71.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.672 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.967 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.2 p -60.93 -35.34 76.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.009 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.84 -45.05 83.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.654 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.5 HG22 ' HE2' ' A' ' 548' ' ' PHE . 43.2 t -70.69 -42.83 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.447 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.8 t -59.64 -51.19 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.911 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.4 mm-40 -70.05 -30.67 67.99 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.01 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -60.38 -49.15 78.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.145 178.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.712 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 14.3 mt -71.21 -31.35 67.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.52 74.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.393 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' B' ' 548' ' ' PHE . 56.9 mmt-85 -59.44 -49.48 77.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.531 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -68.33 -32.54 72.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.643 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.31 -21.93 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.007 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -95.34 -52.23 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.729 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.8 t -88.87 130.26 45.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.2 127.16 2.09 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.88 2.387 . . . . 0.0 112.573 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . 0.477 ' HD2' ' HB3' ' B' ' 552' ' ' GLU . 5.6 ttm180 -164.43 -34.77 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.436 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 123.0 29.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 -17.52 18.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' B' ' 624' ' ' SER . 0.1 OUTLIER -63.94 -46.67 83.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.568 HG11 ' HB3' ' B' ' 628' ' ' GLU . 2.8 p -151.25 131.9 7.31 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.609 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.05 112.38 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.918 2.412 . . . . 0.0 111.512 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.62 -16.25 14.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -55.96 -44.42 78.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 111.5 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.16 -28.07 28.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.784 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.09 -39.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.424 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -73.47 -17.55 61.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.426 0.632 . . . . 0.0 109.933 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -21.06 56.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.298 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.62 HG12 ' HB3' ' B' ' 577' ' ' ARG . 17.1 mt -74.7 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.603 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' B' ' 571' ' ' PRO . 5.3 tp -86.73 115.41 62.3 Favored Pre-proline 0 N--CA 1.437 -1.11 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' B' ' 570' ' ' LEU . 35.7 Cg_endo -65.85 19.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.918 2.412 . . . . 0.0 112.802 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.538 ' H ' ' C ' ' B' ' 570' ' ' LEU . 22.7 p -108.53 -16.13 14.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.056 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -57.79 3.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.81 -127.0 1.6 Allowed Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -136.86 -3.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.717 0.258 . . . . 0.0 111.188 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -55.29 -45.13 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.616 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.62 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.55 -36.69 85.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.457 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.19 -42.87 99.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.776 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.2 OUTLIER -66.26 -40.02 89.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 76.2 m -62.36 -41.24 98.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.112 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.75 -40.43 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.567 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.86 4.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.225 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.98 41.82 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.298 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -108.03 52.42 0.71 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.04 65.7 3.73 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.978 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -168.85 -35.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' B' ' 618' ' ' ILE . 1.3 m-20 -74.13 -21.92 59.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.574 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.15 -25.85 59.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.875 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.359 179.432 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.14 -36.3 82.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.783 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.574 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 84.0 m-85 -67.86 -43.01 80.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.345 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.98 -36.5 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.075 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.09 99.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.413 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.747 HD22 HD11 ' B' ' 596' ' ' ILE . 54.1 t30 -83.16 -10.26 58.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 111.249 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.33 22.9 33.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.087 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.747 HD11 HD22 ' B' ' 594' ' ' ASN . 7.5 mt -98.9 87.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.77 0.319 . . . . 0.0 111.521 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.16 18.03 2.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.286 0.565 . . . . 0.0 109.988 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 171.9 13.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.707 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.1 OUTLIER -82.18 153.48 25.96 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.246 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.47 -46.66 3.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.539 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . 0.52 ' OD1' ' HD3' ' B' ' 604' ' ' ARG . 0.6 OUTLIER -57.01 -41.75 79.08 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.671 0.389 . . . . 0.0 111.902 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -47.03 87.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.379 0.609 . . . . 0.0 110.417 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.438 HG23 ' HE1' ' B' ' 634' ' ' TYR . 2.1 mp -67.45 -39.61 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.792 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.52 ' HD3' ' OD1' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -60.31 -42.19 95.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.779 178.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.571 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -65.81 -33.06 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.71 178.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.879 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.7 t80 -64.49 -37.22 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 0.0 109.751 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.186 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -75.64 -41.03 55.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.426 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -120.49 -41.42 2.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.62 -38.67 0.32 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.341 0.656 . . . . 0.0 110.794 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.84 35.18 2.25 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -49.34 -54.52 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.373 -178.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.01 -43.96 86.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.712 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -66.1 -38.49 88.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.412 0.625 . . . . 0.0 110.163 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -42.75 76.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.659 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' B' ' 594' ' ' ASN . 38.5 pt -70.95 -24.06 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 113.38 29.58 2.92 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.113 -1.041 . . . . 0.0 113.33 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.0 mm -66.74 146.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 18.9 t70 -64.42 121.62 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.118 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.585 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.5 OUTLIER -61.35 -33.51 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -13.1 62.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.097 0.475 . . . . 0.0 110.784 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' B' ' 619' ' ' ASP . 22.9 mtpt -113.55 -4.91 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.713 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -55.33 -44.61 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.087 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.6 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -60.51 -48.28 82.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.42 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -34.57 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.387 0.613 . . . . 0.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -53.26 52.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.434 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.41 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.916 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.568 ' HB3' HG11 ' B' ' 561' ' ' VAL . 3.6 tp10 -59.91 -50.86 72.11 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.189 0.519 . . . . 0.0 109.684 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.2 82.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.061 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.423 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -59.74 -48.95 79.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.97 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' B' ' 532' ' ' PHE . 0.5 OUTLIER -57.61 -44.98 85.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.261 0.553 . . . . 0.0 110.195 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 6.6 m -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.579 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.784 ' HD1' HG13 ' B' ' 566' ' ' VAL . 20.9 t80 -62.99 -40.47 97.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . 0.438 ' HE1' HG23 ' B' ' 603' ' ' ILE . 63.5 t80 -60.26 -39.98 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.172 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -69.04 -45.45 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.264 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.624 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -60.63 -43.6 95.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.755 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -47.65 81.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.992 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -36.03 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.144 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -63.64 -26.67 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.02 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -30.03 68.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.737 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.5 -5.92 41.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.432 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.967 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.9 OUTLIER -65.05 131.86 95.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.188 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.98 69.65 7.38 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.858 2.372 . . . . 0.0 112.009 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.505 ' HB3' ' HE2' ' B' ' 644' ' ' LYS . 8.4 ttpt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.092 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 611' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.798 0 CA-C-O 121.698 0.761 . . . . 0.0 112.545 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . 0.797 ' HB2' HG23 ' B' ' 539' ' ' THR . 1.5 m -157.95 74.8 0.74 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.373 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.406 ' CB ' HD21 ' A' ' 610' ' ' ASN . 10.9 m-85 -97.16 135.54 38.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.263 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -143.68 126.78 16.47 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . 0.635 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -79.57 100.32 7.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.48 HD13 ' HE1' ' B' ' 542' ' ' TYR . 2.5 tp -83.91 145.34 28.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.215 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.41 121.2 32.17 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.2 mm? -119.57 126.94 52.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.121 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 157.16 32.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.499 ' OG1' ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -52.67 -40.46 62.89 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.213 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.62 72.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.497 ' OE2' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -80.62 -27.26 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.7 t80 -53.99 -46.02 71.6 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.9 HG22 ' HG ' ' A' ' 642' ' ' LEU . 5.4 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.285 0.564 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -44.83 90.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.495 HG21 HD11 ' A' ' 537' ' ' LEU . 73.6 t -71.84 -43.6 68.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.81 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 51.6 t -59.91 -50.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.063 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.682 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.6 OUTLIER -68.66 -32.78 72.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.113 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -58.76 -50.77 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 635' ' ' ARG . 7.3 mt -72.01 -29.03 63.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.175 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.96 79.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -65.72 -44.46 86.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 179.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -33.37 74.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.15 -27.45 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.112 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.507 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.0 mttt -84.08 -57.31 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.269 0.557 . . . . 0.0 110.356 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.2 119.58 68.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.418 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 13.6 Cg_endo -57.11 128.36 29.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.447 2.098 . . . . 0.0 112.548 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.88 -32.11 3.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.515 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.64 146.26 52.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.152 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -2.66 52.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -62.51 -34.07 76.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.936 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.3 p -132.83 129.06 21.04 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.8 Cg_exo -74.43 64.71 5.52 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.978 2.452 . . . . 0.0 112.274 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -30.74 65.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -57.11 -47.79 80.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 581' ' ' ALA . 14.7 p -73.99 -26.98 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.116 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.794 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -67.31 -41.63 86.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.631 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -15.02 60.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 109.685 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -80.04 -11.74 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.112 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -94.56 142.13 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.434 178.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.706 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -86.04 127.83 60.38 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.544 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.706 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.3 Cg_endo -68.01 17.63 0.14 Allowed 'Trans proline' 0 N--CA 1.471 0.16 0 C-N-CA 122.831 2.354 . . . . 0.0 112.553 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 35.0 p -108.43 -14.25 14.7 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.691 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.27 -61.24 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.9 -150.33 18.65 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -117.43 -11.87 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.584 0.23 . . . . 0.0 110.774 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.09 -41.66 75.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.58 -37.59 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -62.25 -47.01 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.237 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -62.49 -40.91 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.4 m -61.15 -42.35 98.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.578 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.2 -42.57 77.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.689 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 626' ' ' TYR . 15.9 pt -92.23 8.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.631 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.07 40.83 32.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.962 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -60.48 -62.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.694 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 91.74 -106.7 3.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.928 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.99 -12.66 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.446 ' HA ' HD23 ' A' ' 590' ' ' LEU . 5.4 m-20 -63.62 -26.42 68.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 0.0 110.84 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.8 OUTLIER -62.16 -26.59 68.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.357 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.421 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -63.88 -33.14 60.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.069 0.461 . . . . 0.0 110.525 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.482 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.2 mm? -62.92 -34.35 77.28 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.191 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.548 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 85.0 m-85 -67.48 -43.09 81.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.821 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -31.02 69.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.376 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.71 92.55 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.737 HD22 HD11 ' A' ' 596' ' ' ILE . 60.9 t30 -81.22 -10.12 59.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.741 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.0 19.03 37.76 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.123 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.737 HD11 HD22 ' A' ' 594' ' ' ASN . 3.6 mt -93.45 92.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.763 0.316 . . . . 0.0 111.173 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.17 6.9 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.929 0.395 . . . . 0.0 110.577 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.58 170.67 12.95 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.251 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.533 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -83.0 160.25 22.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.69 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.37 -48.38 3.8 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.09 -38.83 84.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.37 0.268 . . . . 0.0 111.692 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.11 -43.18 92.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.594 0.235 . . . . 0.0 110.725 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.7 OUTLIER -68.85 -41.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.223 0.535 . . . . 0.0 109.819 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -60.62 -46.55 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.3 mm-40 -64.9 -34.65 78.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.647 ' HA ' HD11 ' A' ' 612' ' ' ILE . 1.0 OUTLIER -64.26 -45.25 88.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.734 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.5 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.713 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -21.55 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.805 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.2 m-70 -115.92 -133.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.516 . . . . 0.0 111.303 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 37.8 t30 170.33 -28.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.211 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . 0.45 ' HA ' ' OH ' ' A' ' 530' ' ' TYR . 23.3 p-10 -114.08 34.94 4.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.943 -1.48 . . . . 0.0 111.37 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.689 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -53.8 -57.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 627' ' ' TYR . 3.0 m-85 -58.87 -39.95 82.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.2 OUTLIER -66.68 -37.09 84.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.51 0.671 . . . . 0.0 110.209 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -42.57 75.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.462 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.7 pt -70.9 -25.29 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.584 0.23 . . . . 0.0 111.377 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.482 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.53 32.59 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.31 -0.948 . . . . 0.0 113.853 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.509 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.8 mm -66.3 144.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.096 0.448 . . . . 0.0 110.151 179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -65.3 121.14 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 110.202 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.571 ' HA ' ' CB ' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -60.5 -27.67 67.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -22.26 66.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.225 0.536 . . . . 0.0 111.101 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 0.3 OUTLIER -125.36 -4.47 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.542 -179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 620' ' ' SER . 1.3 tp -53.69 -45.27 70.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -43.79 97.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.311 0.577 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.52 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.54 -37.7 85.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.576 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.3 m-30 -61.58 -45.74 92.83 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.885 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 15.8 m-85 -65.39 -30.88 71.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.553 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.55 -52.21 64.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.55 78.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.714 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.689 ' HE2' HD13 ' A' ' 612' ' ' ILE . 2.2 t80 -63.71 -50.55 68.72 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.168 0.587 . . . . 0.0 112.223 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 635' ' ' ARG . 2.1 mm? -67.1 -45.1 78.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.895 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 71.7 m -59.79 -35.65 75.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.794 ' HD2' HG13 ' A' ' 566' ' ' VAL . 29.6 t80 -62.76 -46.39 88.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -61.29 -38.18 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' HD13 ' A' ' 549' ' ' LEU . 35.5 mtt-85 -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.507 HG23 ' HE2' ' A' ' 554' ' ' LYS . 73.5 mt -61.79 -45.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.96 -45.37 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.214 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.88 -37.7 88.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.34 -27.79 68.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 19.4 mtt -68.82 -30.07 68.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.633 . . . . 0.0 109.513 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -96.15 -6.07 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.886 178.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.9 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.7 tp -74.37 124.0 89.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.487 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.9 Cg_exo . . . . . 0 N--CA 1.458 -0.562 0 C-N-CA 122.939 2.426 . . . . 0.0 110.551 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' B' ' 611' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.443 -0.824 0 CA-C-O 122.117 0.96 . . . . 0.0 113.324 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . 0.499 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 58.3 m -146.87 77.05 1.45 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 113.975 -1.466 . . . . 0.0 107.152 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.406 ' HE1' HD21 ' B' ' 631' ' ' LEU . 64.9 m-85 -85.71 127.76 34.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.931 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.47 127.69 54.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.519 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.05 92.96 7.99 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.347 0.594 . . . . 0.0 110.501 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.9 tp -84.02 137.71 33.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.395 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -89.43 129.8 35.88 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.316 0.579 . . . . 0.0 110.633 -179.18 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.3 mm? -119.56 130.17 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.84 155.11 17.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.797 HG23 ' HB2' ' A' ' 531' ' ' SER . 0.2 OUTLIER -34.41 -53.04 0.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.98 76.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 1.3 mt-10 -80.99 -31.21 34.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.514 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.1 t80 -56.01 -53.01 62.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.614 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.744 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.2 p -63.47 -37.11 86.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.165 0.507 . . . . 0.0 110.573 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -46.66 77.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.534 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.52 HG22 ' HE2' ' A' ' 548' ' ' PHE . 60.2 t -71.19 -42.19 75.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.626 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 542' ' ' TYR . 48.9 t -59.3 -49.33 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.576 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 543' ' ' THR . 0.0 OUTLIER -68.01 -40.38 82.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.227 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -57.17 -49.36 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.487 0.184 . . . . 0.0 111.272 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 18.0 mt -71.0 -26.66 63.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.765 0.317 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.88 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.072 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -63.41 -40.01 96.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.25 -32.83 74.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.493 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -78.47 -39.58 38.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 39.7 mttt -66.8 -59.01 3.92 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.307 0.575 . . . . 0.0 109.486 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . 0.451 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 47.1 t -96.63 111.29 56.72 Favored Pre-proline 0 N--CA 1.445 -0.712 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.478 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -42.38 124.16 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.988 2.459 . . . . 0.0 113.278 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 4.5 mpp_? -144.3 9.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.064 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.44 129.74 56.22 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.117 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -93.8 150.32 20.48 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' B' ' 625' ' ' LYS . 79.0 t90 79.06 -43.32 0.32 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.939 0.775 . . . . 0.0 111.569 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.9 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.6 p -107.26 126.06 30.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.81 137.51 53.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.652 2.235 . . . . 0.0 111.777 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -34.17 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.478 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 20.9 tt0 -56.07 -47.59 77.69 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 569' ' ' ILE . 10.3 p -67.01 -31.86 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.28 -41.27 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.528 0.204 . . . . 0.0 111.516 -178.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.2 p -72.07 -16.52 62.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 110.083 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -80.81 -13.41 58.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.806 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.774 HG12 ' HD2' ' B' ' 577' ' ' ARG . 5.1 mt -90.69 146.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.497 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -99.11 122.71 51.48 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.225 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' B' ' 570' ' ' LEU . 20.6 Cg_endo -65.4 7.75 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.731 2.287 . . . . 0.0 111.88 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 570' ' ' LEU . 40.1 p -104.64 -1.04 26.92 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.32 -67.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 175.14 168.8 36.19 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.4 OUTLIER -86.35 -10.44 54.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.895 0.347 . . . . 0.0 111.321 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -39.72 73.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.39 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.774 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.41 -37.49 83.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.29 -46.79 85.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.241 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -63.39 -40.21 96.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.129 0.49 . . . . 0.0 109.905 179.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 63.7 m -63.33 -41.87 98.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.899 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.434 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.12 -38.96 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.227 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 626' ' ' TYR . 1.9 pt -95.41 5.09 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.615 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.7 42.23 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.743 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -61.7 -49.47 76.34 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.295 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 74.4 -111.0 3.26 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.86 -23.38 66.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.605 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 1.8 m-20 -62.12 -29.25 70.2 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -26.2 68.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.07 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.41 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -64.22 -33.54 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' B' ' 587' ' ' ASP . 1.5 mm? -60.69 -36.69 79.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 57.0 m-85 -68.37 -46.47 69.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -37.11 83.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.59 91.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.826 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.39 -11.54 58.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.322 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.42 13.6 44.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.301 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.6 mt -97.0 92.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.119 0.485 . . . . 0.0 110.58 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.67 -3.6 4.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.379 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.53 171.67 7.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.47 0.652 . . . . 0.0 112.3 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.32 160.97 22.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.713 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.5 -41.49 1.87 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.848 -0.614 . . . . 0.0 113.054 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.39 -43.64 79.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.891 0.476 . . . . 0.0 111.635 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -41.87 94.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.0 OUTLIER -68.4 -40.12 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.301 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' B' ' 604' ' ' ARG . 1.7 ttm105 -64.79 -46.67 81.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 6.7 mm-40 -61.14 -33.33 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.015 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.884 ' HA ' HD11 ' B' ' 612' ' ' ILE . 82.5 t80 -67.24 -39.72 86.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.956 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 65.1 mt-10 -73.52 -41.08 63.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -36.72 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.687 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 1.8 m-70 -109.43 -58.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 81.13 -19.3 0.44 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.843 0.714 . . . . 0.0 110.061 -178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . 0.665 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 8.7 p-10 -114.88 30.47 7.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.48 0.657 . . . . 0.0 110.036 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.884 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -55.96 -57.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.642 -178.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.3 m-85 -57.53 -37.62 73.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.848 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.17 -38.73 82.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 109.94 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -42.32 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.562 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' B' ' 613' ' ' PHE . 45.0 pt -71.7 -25.2 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.18 31.65 2.8 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 119.944 -1.122 . . . . 0.0 113.979 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 17.1 mm -66.45 145.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.32 120.39 12.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -27.58 67.19 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -19.17 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.659 0.266 . . . . 0.0 111.122 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' B' ' 622' ' ' LYS . 6.6 mtmm -125.83 -8.54 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.518 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -53.29 -44.77 68.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.484 0.714 . . . . 0.0 112.422 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -43.24 93.37 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.084 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.85 -38.44 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.756 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.523 ' CD1' HD12 ' B' ' 582' ' ' ILE . 2.2 m-30 -61.27 -47.76 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.714 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' B' ' 613' ' ' PHE . 27.3 m-85 -64.91 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.74 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.9 ' HG2' HG11 ' B' ' 561' ' ' VAL . 4.3 tp10 -58.89 -49.15 78.85 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.61 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.174 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -49.41 72.81 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.292 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.542 HD12 ' NH2' ' B' ' 635' ' ' ARG . 2.5 mm? -64.55 -43.97 92.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.825 0.345 . . . . 0.0 110.701 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 15.6 m -62.69 -40.84 98.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.129 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.6 OUTLIER -65.35 -41.8 93.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.892 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -60.11 -38.28 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.542 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -63.79 -42.82 97.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.065 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.537 HD11 ' CB ' ' B' ' 553' ' ' ALA . 60.5 mt -61.78 -44.62 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -44.19 81.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.112 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.54 -35.19 65.51 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.829 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.561 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.98 -26.06 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -66.51 -30.78 71.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 0.0 109.864 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -6.15 40.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.744 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -67.22 128.22 93.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.152 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 6.7 Cg_exo -72.25 -75.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 0.0 111.073 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.007 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.647 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.863 0 CA-C-O 121.405 0.621 . . . . 0.0 111.601 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.44 129.75 42.08 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.255 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -100.73 129.22 46.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.101 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.64 134.02 49.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.095 0.474 . . . . 0.0 111.899 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.05 96.51 8.53 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 32.2 tp -91.37 142.51 27.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.687 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.83 120.86 32.92 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.7 OUTLIER -118.92 136.97 53.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.76 -177.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -79.8 155.54 27.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -53.96 -37.56 64.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -177.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -80.74 -27.63 36.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.089 0.471 . . . . 0.0 111.494 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 537' ' ' LEU . 83.4 t80 -53.66 -47.68 70.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.678 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.739 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -64.83 -34.43 78.35 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -43.62 83.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.21 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.13 -43.9 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.631 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 642' ' ' LEU . 54.6 t -60.04 -50.28 80.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.955 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -66.99 -32.51 73.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.471 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.609 ' HE2' HG22 ' B' ' 545' ' ' VAL . 3.2 t80 -60.01 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 6.9 mt -72.11 -30.5 65.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.293 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.93 -35.44 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 6.3 mmt85 -64.55 -40.22 95.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.619 ' HA ' HH12 ' A' ' 557' ' ' ARG . 2.8 mm-40 -64.08 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.114 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.09 -26.12 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.537 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.57 ' HE2' HG23 ' A' ' 636' ' ' ILE . 13.1 mttm -78.9 -54.99 5.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.362 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 93.0 t -86.46 125.02 68.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.35 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.91 128.1 25.5 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.789 2.326 . . . . 0.0 112.037 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.619 HH12 ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -154.97 -36.64 0.09 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.7 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -84.77 123.96 31.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -12.21 19.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.819 0.342 . . . . 0.0 111.752 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -89.27 -42.18 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.348 0.594 . . . . 0.0 110.058 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.635 HG11 ' HG2' ' A' ' 628' ' ' GLU . 1.5 p -113.29 119.22 42.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.802 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.64 103.6 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.025 2.483 . . . . 0.0 111.848 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -42.15 6.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.08 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.34 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.6 p -67.01 -30.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.783 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -70.4 -39.47 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.71 -14.43 61.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.306 0.574 . . . . 0.0 110.079 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -16.85 49.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.914 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -89.86 145.55 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.52 . . . . 0.0 111.263 -179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -86.07 126.55 64.98 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.2 Cg_endo -67.45 13.61 0.16 Allowed 'Trans proline' 0 C--N 1.335 -0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.504 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 80.8 p -99.84 -16.2 18.13 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.839 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -80.25 -39.63 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.29 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 141.94 -137.79 8.18 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.576 HD21 HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -126.29 -5.51 6.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.851 0.326 . . . . 0.0 110.581 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.3 -45.02 76.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.528 -178.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.76 -36.77 81.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.007 0.432 . . . . 0.0 110.238 179.116 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 575' ' ' LEU . 54.2 t80 -59.57 -44.28 93.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.834 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -66.41 -38.96 88.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.639 178.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.44 -38.11 83.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.703 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.15 -42.97 82.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 626' ' ' TYR . 25.8 pt -94.01 8.63 5.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.657 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 63.92 39.76 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.377 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.41 89.55 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.25 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -73.87 -22.12 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 3.1 m-20 -74.16 -25.33 59.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.01 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -26.43 64.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -64.92 -33.81 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.528 -179.639 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 587' ' ' ASP . 1.3 mm? -62.34 -38.07 88.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.533 0.682 . . . . 0.0 109.479 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.3 m-85 -68.11 -42.98 79.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.433 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -56.8 -41.41 77.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.97 93.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.306 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 616' ' ' ILE . 5.2 t30 -81.55 -12.71 58.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.09 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.85 13.97 53.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.321 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.576 HG22 HD21 ' A' ' 575' ' ' LEU . 6.6 mt -94.67 107.79 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -165.4 20.03 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.898 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.63 173.04 9.26 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.588 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.06 128.82 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.871 -179.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.5 -31.85 3.47 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.568 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.62 96.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.181 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -66.41 -39.24 88.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.013 0.435 . . . . 0.0 110.565 178.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.441 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.7 mt -67.8 -40.7 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.91 -44.82 95.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.004 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -61.17 -36.27 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.297 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.686 ' HA ' HD11 ' A' ' 612' ' ' ILE . 20.6 t80 -65.57 -46.81 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.48 -33.63 73.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -75.03 -27.78 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' ' 610' ' ' ASN . 5.3 m-70 -120.82 -132.42 0.3 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.954 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 1.9 p30 168.63 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -110.14 29.26 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.177 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -53.19 -56.12 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.388 -178.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -59.34 -40.18 85.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.122 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.67 -36.94 83.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.282 0.563 . . . . 0.0 110.148 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.38 76.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.631 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.1 pt -73.5 -22.39 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.33 31.47 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 119.884 -1.15 . . . . 0.0 113.632 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 591' ' ' PHE . 19.0 mm -66.94 147.54 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.26 120.44 11.56 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.307 0.575 . . . . 0.0 110.124 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -66.35 -31.39 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.63 -177.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -64.79 -15.44 61.7 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.112 -0.368 . . . . 0.0 111.777 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -129.64 2.95 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.2 tp -53.17 -37.26 61.74 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.144 0.578 . . . . 0.0 112.436 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.37 91.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.122 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -35.97 79.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-85 -62.42 -46.84 86.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.783 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.84 -34.03 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.617 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.635 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -61.87 -47.3 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.531 . . . . 0.0 110.359 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.88 78.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.669 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.87 -49.32 78.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.405 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -64.95 -43.34 93.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -58.59 -43.83 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.372 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.783 ' HD1' HG13 ' A' ' 566' ' ' VAL . 19.0 t80 -61.98 -46.18 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.809 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -63.35 -38.26 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -45.24 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 110.348 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.57 HG23 ' HE2' ' A' ' 554' ' ' LYS . 24.1 mt -63.18 -46.4 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.71 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -43.78 81.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.409 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -35.48 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.619 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -69.19 -24.96 64.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.348 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -33.57 75.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.9 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -95.85 -5.81 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.269 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.739 ' HG ' HG22 ' A' ' 543' ' ' THR . 5.7 tp -71.65 128.16 90.08 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.955 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 N--CA 1.454 -0.796 0 C-N-CA 123.155 2.57 . . . . 0.0 112.234 179.155 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.409 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.804 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.2 152.97 44.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.362 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.423 ' HE2' HD21 ' B' ' 631' ' ' LEU . 26.2 m-85 -106.15 136.39 45.93 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.736 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -130.72 143.03 50.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.422 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.82 134.78 34.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.885 0.374 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.1 tp -119.71 135.93 54.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.53 119.9 32.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.082 0.467 . . . . 0.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -122.17 142.71 50.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.786 -179.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 155.56 26.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.647 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -56.97 -40.96 77.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.92 70.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.436 ' O ' HG23 ' B' ' 545' ' ' VAL . 65.1 mm-40 -78.74 -29.24 45.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.8 t80 -56.05 -49.64 73.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.91 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 1.035 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.08 -35.21 74.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -67.87 -41.27 83.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.609 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.7 t -69.24 -43.59 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.532 HG22 ' NH1' ' B' ' 635' ' ' ARG . 57.3 t -59.73 -50.82 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.975 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.754 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -62.26 -38.19 88.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.7 179.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -58.36 -47.71 82.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -72.31 -33.02 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.656 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.9 mmt85 -64.13 -45.42 88.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -67.81 -33.15 74.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.312 0.577 . . . . 0.0 110.402 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.22 -38.99 50.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.84 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 51.5 mttt -74.1 -52.22 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.28 111.38 51.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 1.02 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 84.9 Cg_exo -37.41 125.43 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.639 2.893 . . . . 0.0 114.207 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.59 10.02 0.94 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.909 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -135.5 124.42 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.062 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.75 -20.28 16.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -84.45 -40.15 18.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 0.0 110.058 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.5 p -111.11 124.02 33.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.669 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.867 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 36.4 Cg_exo -57.73 108.38 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.16 2.573 . . . . 0.0 112.556 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.76 -43.74 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.789 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 1.02 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 0.9 OUTLIER -56.1 -50.54 70.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.111 -178.259 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -68.99 -29.62 43.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.813 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -70.16 -40.82 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.382 -179.025 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.448 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 0.1 OUTLIER -72.9 -14.92 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.384 0.611 . . . . 0.0 110.249 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -18.84 43.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.895 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 566' ' ' VAL . 23.4 mt -76.07 135.85 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.286 0.565 . . . . 0.0 111.678 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -86.97 119.81 71.25 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.3 Cg_endo -67.79 23.34 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.195 0 C-N-CA 123.038 2.492 . . . . 0.0 112.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 570' ' ' LEU . 54.6 p -109.37 -16.21 14.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.952 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.45 -51.87 7.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.992 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 149.12 -139.07 7.24 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -116.45 -7.02 11.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.833 0.317 . . . . 0.0 110.834 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -45.97 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.002 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -36.89 85.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.69 0.281 . . . . 0.0 110.251 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.41 -42.27 98.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.721 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -66.78 -45.53 78.19 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.39 -38.53 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.323 0.582 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.92 -46.07 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.884 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.867 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 8.8 pt -89.38 7.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 63.13 39.27 10.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.648 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -100.43 45.95 0.97 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.684 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.66 59.66 2.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.914 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -170.4 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.629 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.34 -22.23 60.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.809 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.523 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.33 -25.49 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.708 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' B' ' 590' ' ' LEU . 0.7 OUTLIER -60.71 -33.61 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.159 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 589' ' ' VAL . 1.3 mm? -66.07 -39.41 90.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.788 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' B' ' 618' ' ' ILE . 82.6 m-85 -67.46 -43.9 79.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.446 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -37.41 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.15 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.59 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.349 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.554 HD22 HD11 ' B' ' 596' ' ' ILE . 11.1 t30 -79.48 -12.01 59.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.126 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.02 19.93 34.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.388 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.554 HD11 HD22 ' B' ' 594' ' ' ASN . 6.4 mt -101.15 94.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.564 0.221 . . . . 0.0 111.293 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.74 8.96 2.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 167.39 10.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.388 0.613 . . . . 0.0 112.219 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.49 144.47 29.53 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.957 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.47 -33.63 2.52 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.518 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.91 -41.44 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.86 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.62 -40.11 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.023 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.16 94.56 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 0.3 OUTLIER -68.19 -33.7 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.773 ' HA ' HD11 ' B' ' 612' ' ' ILE . 55.3 t80 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.249 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -40.85 95.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -77.72 -15.26 59.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.649 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.473 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 6.5 m-70 -130.81 -136.97 0.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 111.642 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.473 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 6.1 p30 171.27 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -111.13 27.58 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.885 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -53.54 -55.78 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.164 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -59.14 -40.05 84.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.118 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.39 88.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.084 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -41.95 95.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.41 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 46.1 pt -72.89 -22.23 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.7 28.52 3.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.21 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.9 mm -67.18 146.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 117.217 0.508 . . . . 0.0 110.0 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.21 121.5 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.609 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -60.26 -30.47 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -16.87 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.322 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 22.5 mtpt -122.45 -6.88 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.857 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 16.3 tp -52.91 -41.96 64.91 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -45.63 90.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -36.22 83.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.48 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 1.9 m-30 -63.26 -47.61 81.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.705 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.07 -35.44 81.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.343 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.556 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.1 OUTLIER -61.8 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.017 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -57.93 -49.02 78.19 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.539 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' B' ' 532' ' ' PHE . 1.0 OUTLIER -63.19 -44.25 95.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 179.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.412 ' O ' HG13 ' B' ' 636' ' ' ILE . 15.5 m -60.34 -46.93 88.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.769 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.813 ' HD1' HG13 ' B' ' 566' ' ' VAL . 8.6 t80 -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.42 -37.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.722 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.742 ' NE ' ' HA ' ' B' ' 635' ' ' ARG . 4.0 mmp_? -73.08 -44.47 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.527 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' B' ' 553' ' ' ALA . 56.6 mt -60.12 -46.72 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -46.96 81.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.472 -178.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.75 -35.5 70.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.639 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.22 -26.98 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.95 0.405 . . . . 0.0 111.153 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 24.5 mtt -69.76 -33.91 73.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.275 0.56 . . . . 0.0 109.889 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -6.01 41.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.113 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 1.035 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.3 tp -62.24 127.37 89.54 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.907 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.16 44.36 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.123 2.549 . . . . 0.0 110.691 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.253 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 627' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.109 0.48 . . . . 0.0 111.334 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.37 140.1 36.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 36.7 m-85 -88.71 134.35 33.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.108 0.48 . . . . 0.0 111.191 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 533' ' ' ARG . 0.0 OUTLIER -123.42 128.44 49.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.818 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 135.0 49.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.14 0.495 . . . . 0.0 111.312 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.2 tp -125.39 150.54 47.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.516 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.182 0.515 . . . . 0.0 110.276 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.17 140.74 50.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.203 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.458 ' HB2' ' OH ' ' B' ' 530' ' ' TYR . 0.1 OUTLIER -79.95 158.31 26.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.84 87.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.43 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 545' ' ' VAL . 45.8 mt-10 -72.82 -30.5 64.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 546' ' ' VAL . 62.6 t80 -56.55 -51.18 69.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.908 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.0 OUTLIER -67.48 -34.31 76.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.982 0.42 . . . . 0.0 110.91 -179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.79 89.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.064 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' B' ' 548' ' ' PHE . 93.9 t -71.45 -43.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.795 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.6 t -59.78 -49.38 84.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.064 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.59 -33.84 74.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.548 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.0 t80 -60.12 -49.93 75.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.766 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 14.3 mt -71.47 -27.76 63.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.44 76.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.109 0.48 . . . . 0.0 109.867 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 19.9 mmt180 -67.71 -41.9 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.975 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.42 -32.7 74.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.529 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.601 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -78.66 -25.71 44.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.891 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -80.03 -45.25 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.132 0.491 . . . . 0.0 111.586 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.525 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 2.5 m -103.51 162.1 21.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.378 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 10.4 Cg_endo -58.52 127.08 23.29 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 108.902 -1.23 . . . . 0.0 108.902 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 -20.47 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.82 157.18 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.514 ' CE3' HG23 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -116.89 28.75 8.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.272 -178.042 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.514 HG23 ' CE3' ' A' ' 560' ' ' TRP . 2.0 t -121.54 122.95 27.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.457 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 2.7 Cg_exo -75.99 79.1 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.052 2.502 . . . . 0.0 111.479 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.601 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.6 OUTLIER -66.85 -34.27 77.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.992 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -49.92 73.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.676 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.3 p -68.28 -32.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.626 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.827 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.54 -41.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -71.95 -19.86 61.83 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.428 0.632 . . . . 0.0 109.589 179.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.79 -20.09 47.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.589 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.8 mt -74.48 137.6 22.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.18 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -91.87 117.88 67.97 Favored Pre-proline 0 C--N 1.314 -0.978 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 570' ' ' LEU . 55.5 Cg_endo -69.15 22.55 0.15 Allowed 'Trans proline' 0 N--CA 1.471 0.166 0 C-N-CA 123.088 2.525 . . . . 0.0 111.915 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 50.1 p -109.68 -13.27 14.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.221 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -30.58 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.82 -148.31 19.96 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.51 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -117.86 -5.01 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 110.384 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -43.24 76.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.431 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.776 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.98 -37.39 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.96 -43.61 98.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.115 0.484 . . . . 0.0 109.847 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.2 m -64.02 -39.59 94.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.705 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -57.46 -41.62 80.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.599 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.7 pt -91.81 5.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.03 39.17 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.646 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -59.09 -65.4 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.655 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 104.78 -108.8 3.17 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.863 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.09 1.96 54.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.87 -24.31 67.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.407 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -26.0 64.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.275 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.12 -33.72 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.032 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.17 -39.51 89.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.558 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.5 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.5 m-85 -68.04 -44.2 76.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.356 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.9 t30 -60.0 -38.42 82.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.211 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.67 88.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.126 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -83.9 -12.0 56.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.243 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 96.13 4.59 59.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.996 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.8 mt -85.42 81.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 0.4 OUTLIER -134.33 30.17 3.58 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.113 0.482 . . . . 0.0 110.253 178.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.82 170.77 13.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.524 0.678 . . . . 0.0 112.597 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -83.47 135.93 34.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.21 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.6 -25.05 4.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.714 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.93 93.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.677 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.635 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.08 -41.44 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.183 0.516 . . . . 0.0 110.036 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . 0.431 ' HG3' ' HD2' ' A' ' 608' ' ' LYS . 0.2 OUTLIER -63.26 -46.33 87.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.517 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 13.0 mm-40 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.851 0.358 . . . . 0.0 110.204 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.62 ' HA ' HD11 ' A' ' 612' ' ' ILE . 9.5 t80 -66.26 -38.8 88.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.016 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.3 -42.42 99.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . 0.431 ' HD2' ' HG3' ' A' ' 604' ' ' ARG . 0.1 OUTLIER -78.61 -28.07 45.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.778 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 11.1 m-70 -116.28 -144.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.663 0.744 . . . . 0.0 112.948 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -176.6 -29.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.324 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -105.43 33.1 3.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.174 -1.375 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -56.38 -63.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.757 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -58.41 -39.61 80.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -41.93 99.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.219 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.9 pt -67.49 -24.31 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.68 29.11 3.47 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.605 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' A' ' 591' ' ' PHE . 20.2 mm -66.48 146.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.88 132.73 50.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.566 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -67.86 -28.47 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -12.41 60.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.198 0.523 . . . . 0.0 110.634 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 29.4 mtpt -120.82 -4.44 9.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.275 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.0 tp -53.87 -45.06 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.345 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -47.68 83.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.614 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -64.28 -37.51 87.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.0 m-85 -64.8 -49.91 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . 0.442 ' HB3' ' CD1' ' A' ' 530' ' ' TYR . 10.2 m-85 -65.7 -32.37 73.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.22 -51.14 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.436 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.11 78.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.384 0.611 . . . . 0.0 110.932 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.465 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -57.37 -48.77 78.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.108 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 631' ' ' LEU . 0.5 OUTLIER -67.16 -38.57 85.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.05 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.03 99.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 110.706 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -60.44 -46.08 91.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.26 -37.23 84.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.766 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -59.27 -45.42 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.518 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 567' ' ' SER . 8.3 mt -64.94 -48.95 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.805 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -58.02 -47.22 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.697 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . 0.597 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.1 OUTLIER -68.09 -35.76 78.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.652 0.263 . . . . 0.0 111.092 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 110.82 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.71 -30.13 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.37 0.605 . . . . 0.0 109.696 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -5.69 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.759 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.908 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.6 tp -61.8 130.41 92.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo . . . . . 0 C--N 1.344 0.314 0 C-N-CA 122.976 2.451 . . . . 0.0 112.043 179.444 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.458 ' OH ' ' HB2' ' A' ' 538' ' ' SER . 4.1 t80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.9 m -94.04 131.55 39.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.57 145.08 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.261 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -131.89 126.67 34.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.145 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.51 34.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.017 0.437 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -113.29 143.69 44.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 532' ' ' PHE . 0.9 OUTLIER -92.36 128.44 38.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.542 HD11 HG21 ' B' ' 545' ' ' VAL . 0.2 OUTLIER -119.83 125.54 48.8 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.253 -178.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -75.8 157.05 33.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.067 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -50.15 62.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.59 71.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.3 -28.88 65.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 546' ' ' VAL . 89.3 t80 -55.36 -51.39 66.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.259 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.768 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.69 -36.96 80.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.996 0.427 . . . . 0.0 110.899 -178.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -67.61 -44.69 77.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.542 HG21 HD11 ' B' ' 537' ' ' LEU . 54.3 t -69.78 -43.34 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.383 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.479 HG11 HD13 ' B' ' 642' ' ' LEU . 55.3 t -59.91 -50.34 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -67.3 -35.95 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.146 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.567 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.3 t80 -58.84 -50.89 72.3 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.644 0.259 . . . . 0.0 110.959 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 9.4 mt -71.84 -28.26 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.629 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 12.5 mmt85 -67.1 -42.91 83.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.697 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.9 -39.14 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.741 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.31 -23.51 51.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.358 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 7.3 mttt -77.04 -24.98 52.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.407 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 6.7 m -115.15 158.93 39.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -73.35 124.27 9.31 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 N-CA-C 108.806 -1.267 . . . . 0.0 108.806 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 16.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.466 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -112.15 149.95 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.486 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' B' ' 561' ' ' VAL . 0.0 OUTLIER -120.6 7.57 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -178.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' B' ' 560' ' ' TRP . 3.0 t -96.35 118.17 65.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . 0.703 ' HB2' HG12 ' B' ' 565' ' ' VAL . 56.6 Cg_endo -70.16 83.28 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.16 2.573 . . . . 0.0 111.165 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . 0.543 HG22 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -68.93 -44.81 72.32 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.743 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -57.84 -50.22 74.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.703 HG12 ' HB2' ' B' ' 562' ' ' PRO . 7.5 p -69.26 -33.86 60.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.485 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.792 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.45 -41.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.3 p -74.18 -14.2 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.492 0.663 . . . . 0.0 110.166 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.68 -15.61 44.7 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.208 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 565' ' ' VAL . 5.8 mt -80.3 140.73 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.3 OUTLIER -92.18 121.9 65.83 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.113 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' B' ' 570' ' ' LEU . 61.6 Cg_endo -70.97 21.7 0.21 Allowed 'Trans proline' 0 C--O 1.224 -0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.598 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.456 ' H ' ' C ' ' B' ' 570' ' ' LEU . 46.3 p -108.12 -17.06 14.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.943 0.401 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.29 -39.45 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 152.01 -152.12 23.91 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.565 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.28 -12.65 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.917 0.358 . . . . 0.0 110.483 179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.45 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . 0.51 HH11 HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.63 -36.74 83.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.69 0.281 . . . . 0.0 110.429 178.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.56 -40.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -43.85 96.02 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.6 m -61.15 -41.39 96.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.878 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.5 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.5 -46.27 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.499 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' B' ' 584' ' ' ALA . 4.5 pt -85.42 4.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.099 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.92 38.06 24.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.256 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.439 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -63.28 -62.27 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.41 -110.25 2.68 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.381 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.49 14.81 26.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -23.92 67.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.212 0.529 . . . . 0.0 109.856 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.532 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.18 -25.25 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.518 178.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.463 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.35 -33.83 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.116 179.483 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.463 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -66.21 -38.97 89.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 91.7 m-85 -67.88 -43.24 79.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.258 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.49 80.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.239 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.42 87.37 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.082 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.489 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.9 t30 -80.92 -12.49 59.39 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.076 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.18 15.82 46.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.836 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.7 mt -98.08 95.73 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 111.086 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -148.25 15.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.09 174.01 10.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.527 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -79.63 147.76 31.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.373 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.26 -32.66 2.77 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.973 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -45.04 95.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.74 95.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.541 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.441 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 2.1 mt -68.29 -40.09 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.024 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -60.28 -46.83 88.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.422 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -64.34 -34.86 79.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.639 ' HA ' HD11 ' B' ' 612' ' ' ILE . 80.6 t80 -66.6 -38.81 87.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.387 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 54.5 mt-10 -66.98 -42.47 85.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.702 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -77.28 -26.91 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.149 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 21.7 m-70 -126.25 -138.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.362 0.601 . . . . 0.0 112.01 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.421 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 13.0 p30 174.27 -21.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.461 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -103.44 23.89 11.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.212 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -52.9 -57.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.27 -40.67 82.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.761 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.8 OUTLIER -66.24 -38.97 89.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.29 0.567 . . . . 0.0 110.219 178.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -66.26 -42.78 88.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.566 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.2 pt -70.96 -23.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . 0.401 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.1 28.39 3.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.027 -1.083 . . . . 0.0 113.763 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' B' ' 591' ' ' PHE . 19.4 mm -65.9 146.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 6.2 t70 -64.76 127.81 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.495 . . . . 0.0 110.96 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -58.8 -32.74 69.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.799 -178.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -6.89 49.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.819 0.342 . . . . 0.0 111.665 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.571 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 25.6 mtpt -122.66 -6.97 8.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' B' ' 614' ' ' GLU . 8.0 tp -54.52 -46.01 73.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -48.15 83.08 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.494 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.15 -35.87 82.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.089 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.571 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 3.3 m-30 -66.55 -50.14 64.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . 0.42 ' CE2' ' HG ' ' B' ' 623' ' ' LEU . 8.9 m-85 -63.89 -33.94 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.764 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' B' ' 561' ' ' VAL . 3.3 tp10 -61.25 -51.53 68.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -36.01 79.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.692 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.59 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -57.02 -48.74 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.823 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' B' ' 631' ' ' LEU . 1.7 mm? -64.96 -44.48 89.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.042 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.64 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 4.5 m -62.34 -41.77 98.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.307 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.792 ' HD1' HG13 ' B' ' 566' ' ' VAL . 27.8 t80 -62.27 -44.63 96.1 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.004 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.08 -40.11 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.862 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.3 OUTLIER -60.2 -44.94 94.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 633' ' ' PHE . 22.4 mt -59.92 -47.02 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 109.93 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.532 ' OE1' ' HG3' ' B' ' 571' ' ' PRO . 20.4 tp60 -59.95 -42.83 94.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -36.35 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.346 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.677 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.11 -24.52 67.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.47 -32.92 74.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 0.0 109.525 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -10.29 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.079 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.768 ' HG ' HG22 ' B' ' 543' ' ' THR . 5.1 tp -71.2 128.29 90.51 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.388 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.27 58.83 7.18 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.761 2.307 . . . . 0.0 111.292 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.103 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.925 0.393 . . . . 0.0 110.494 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 129.25 35.43 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.286 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.34 129.53 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.533 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . 0.451 HH11 ' HB3' ' A' ' 533' ' ' ARG . 0.6 OUTLIER -121.7 126.42 48.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.051 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.61 111.57 16.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.372 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' B' ' 542' ' ' TYR . 12.7 tp -101.88 134.87 44.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . 0.474 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -92.36 120.66 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.87 0.367 . . . . 0.0 110.543 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.3 OUTLIER -121.34 143.99 48.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.962 -179.295 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' B' ' 532' ' ' PHE . 0.1 OUTLIER -81.19 155.55 26.1 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -39.16 81.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.8 76.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.25 -28.41 38.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.744 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.569 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.6 t80 -54.67 -46.79 74.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.857 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 1.001 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.34 -35.68 81.18 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.03 0.443 . . . . 0.0 111.72 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -42.95 94.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.613 HG22 ' HE2' ' B' ' 548' ' ' PHE . 38.7 t -71.64 -42.4 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.795 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 642' ' ' LEU . 43.5 t -60.6 -49.34 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.109 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 1.2 mm-40 -67.14 -33.57 75.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.184 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -60.11 -49.11 78.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.237 0.542 . . . . 0.0 110.14 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.5 mt -72.06 -26.33 62.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.638 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.37 80.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.7 mmt180 -63.27 -45.28 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.491 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.27 -21.16 50.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -83.54 -42.44 16.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.482 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.13 127.47 53.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.476 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 15.4 Cg_endo -56.83 127.33 25.4 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.035 1.823 . . . . 0.0 112.161 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -164.67 21.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.492 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . 0.41 ' HB3' HG13 ' A' ' 561' ' ' VAL . 6.1 m-30 -110.57 161.7 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.988 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.421 ' HB ' ' H ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -65.73 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.421 ' H ' ' HB ' ' A' ' 559' ' ' THR . 0.0 OUTLIER -70.83 -39.89 72.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 629' ' ' ALA . 1.4 p -76.49 123.52 87.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.824 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.669 ' HB2' HG12 ' A' ' 565' ' ' VAL . 2.9 Cg_exo -75.82 110.56 3.11 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.022 2.481 . . . . 0.0 110.575 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -42.34 70.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.721 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 0.4 OUTLIER -60.37 -47.09 87.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.669 HG12 ' HB2' ' A' ' 562' ' ' PRO . 5.3 p -65.06 -31.6 54.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.66 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.68 -41.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.541 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.97 -14.75 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.339 0.59 . . . . 0.0 109.939 179.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.52 -19.24 50.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.233 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 577' ' ' ARG . 20.4 mt -74.16 141.37 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.154 0.502 . . . . 0.0 110.643 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -90.63 117.0 67.65 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.455 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.625 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 38.1 Cg_endo -68.02 20.44 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.056 2.504 . . . . 0.0 112.056 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 570' ' ' LEU . 77.8 p -108.83 -6.64 15.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.633 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.96 -75.2 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 177.8 -148.19 8.52 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.777 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -111.61 2.88 17.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.956 0.407 . . . . 0.0 110.423 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.517 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.55 -45.71 81.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.526 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.93 -36.91 80.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 178.353 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.5 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.186 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -40.24 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.401 0.62 . . . . 0.0 109.607 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 68.7 m -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.775 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.0 84.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.153 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 584' ' ' ALA . 6.8 pt -88.83 3.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.938 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.35 40.69 24.12 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.741 0.651 . . . . 0.0 109.344 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -61.8 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.97 -179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.28 -111.81 3.03 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.381 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.55 19.02 10.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.58 -23.27 58.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.159 0.504 . . . . 0.0 110.345 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.54 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.82 -26.88 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.986 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.17 -33.38 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.505 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -67.78 -37.78 82.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.195 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' A' ' 618' ' ' ILE . 95.7 m-85 -67.84 -41.85 82.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.632 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.9 t-20 -60.29 -40.15 89.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.007 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.09 87.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.978 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.567 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.9 t30 -79.69 -11.26 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.247 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.82 19.16 48.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.106 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 575' ' ' LEU . 9.3 mt -87.98 -105.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.799 -0.2 . . . . 0.0 110.657 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.615 ' HA ' HD11 ' A' ' 575' ' ' LEU . 25.8 p90 55.81 -17.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.2 OUTLIER -111.31 173.85 6.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.074 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.412 ' HA ' ' SD ' ' A' ' 602' ' ' MET . 0.0 OUTLIER -79.33 159.86 27.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.11 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 604' ' ' ARG . . . 81.41 -47.96 3.72 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.844 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 596' ' ' ILE . 0.4 OUTLIER -60.93 -42.2 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.471 0.308 . . . . 0.0 111.427 -179.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.23 -42.95 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.624 0.25 . . . . 0.0 110.976 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.463 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.8 OUTLIER -68.72 -42.26 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -61.53 -44.23 97.42 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.341 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 608' ' ' LYS . 0.5 OUTLIER -65.32 -33.81 76.86 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.772 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.547 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.8 t80 -67.91 -36.74 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.668 0.747 . . . . 0.0 109.88 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.58 -45.14 91.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -78.53 -37.35 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.635 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 78.1 m-70 -129.73 141.79 50.82 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.55 12.67 21.33 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -123.68 18.31 9.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.769 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.848 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.3 OUTLIER -50.68 -61.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -58.29 -35.33 71.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 0.0 111.357 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.74 -46.43 72.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.032 0.444 . . . . 0.0 111.06 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 612' ' ' ILE . 5.0 ptm85 -71.26 -31.27 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . 0.476 HG22 ' HB2' ' A' ' 594' ' ' ASN . 35.1 pt -75.33 -25.3 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.282 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.48 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 106.89 34.31 3.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.12 -1.038 . . . . 0.0 114.107 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -65.7 149.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.09 121.0 11.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.316 0.579 . . . . 0.0 109.576 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -34.37 71.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -12.15 60.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.921 0.391 . . . . 0.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 21.7 mtpt -118.45 -9.41 10.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.578 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . . . . . . . . . 13.2 tp -52.87 -40.97 63.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -46.96 86.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.012 0.434 . . . . 0.0 111.876 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.6 79.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.519 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.6 m-85 -64.58 -48.69 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.973 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.95 -33.39 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.532 ' HG2' HG11 ' A' ' 561' ' ' VAL . 2.8 tp10 -61.65 -49.16 77.66 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . 0.739 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -67.62 -35.66 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.82 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.848 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.46 -48.37 80.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.256 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 1.1 mm? -60.16 -38.45 83.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 635' ' ' ARG . 9.1 m -63.04 -46.05 89.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.335 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.66 ' HD1' HG13 ' A' ' 566' ' ' VAL . 2.1 t80 -62.98 -38.95 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.35 -40.78 91.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.8 mtp180 -66.95 -46.05 75.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 567' ' ' SER . 31.9 mt -65.94 -45.87 89.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.357 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -41.88 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.616 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.0 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.143 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.746 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.79 -23.05 67.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.127 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 7.5 mtt -66.41 -39.81 89.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.62 -6.28 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.602 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 1.001 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -65.23 125.1 88.69 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.858 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.458 -0.576 0 C-N-CA 122.826 2.35 . . . . 0.0 110.985 178.455 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.765 0.317 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 138.18 49.07 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.455 ' HD1' ' HA ' ' A' ' 538' ' ' SER . 14.9 m-85 -85.64 141.14 30.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.323 0.582 . . . . 0.0 111.257 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -122.34 149.83 43.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.71 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . 0.474 HG23 HG23 ' A' ' 536' ' ' THR . 0.1 OUTLIER -95.61 138.61 33.04 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 16.9 tp -124.91 150.69 46.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.728 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 120.05 31.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.171 0.51 . . . . 0.0 109.804 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -120.68 136.25 54.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.233 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -81.87 156.8 24.64 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.622 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -43.81 64.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.59 74.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -79.44 -28.93 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.502 ' CE1' HD13 ' A' ' 535' ' ' LEU . 82.8 t80 -56.32 -51.32 68.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.356 -178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.869 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.9 OUTLIER -63.01 -35.17 79.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.26 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -44.3 87.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.272 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.13 -44.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.215 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.0 t -59.7 -49.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.5 mm-40 -68.8 -36.44 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.613 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.79 -48.1 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.129 0.49 . . . . 0.0 110.005 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.588 ' HB3' ' NE ' ' B' ' 635' ' ' ARG . 19.8 mt -72.05 -26.77 62.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.181 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.47 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.1 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 8.2 mmt85 -65.45 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.774 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.1 -29.53 54.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.801 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -52.22 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.594 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -81.29 125.57 78.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.078 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.4 127.2 23.04 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.03 1.82 . . . . 0.0 111.889 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.72 19.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -98.61 161.43 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.123 0.487 . . . . 0.0 111.813 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -73.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.636 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.62 51.55 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 126.27 7.77 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.63 70.26 6.97 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.395 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . 0.408 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -73.0 -20.65 60.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.159 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -48.03 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 569' ' ' ILE . 13.7 p -75.26 -30.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.0 109.946 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.7 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.1 t -65.83 -39.18 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.639 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.434 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -72.72 -14.34 61.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.234 0.54 . . . . 0.0 110.191 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.29 -11.07 47.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.832 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.586 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 49.6 mt -78.49 145.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.193 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' B' ' 573' ' ' GLU . 0.8 OUTLIER -101.0 120.26 55.83 Favored Pre-proline 0 N--CA 1.436 -1.139 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' B' ' 599' ' ' MET . 11.3 Cg_endo -56.24 -10.43 4.6 Favored 'Trans proline' 0 C--N 1.333 -0.264 0 C-N-CA 122.49 2.126 . . . . 0.0 112.495 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 30.1 p -79.87 -17.39 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.448 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 1.1 mt-10 -86.96 -1.16 57.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 91.43 166.84 40.49 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.133 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.475 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -72.22 -10.45 59.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -39.41 73.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.613 0.244 . . . . 0.0 110.946 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.172 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -64.73 -41.58 95.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.273 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.3 OUTLIER -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 73.9 m -61.39 -42.42 98.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.574 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.07 -43.64 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.827 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.6 pt -88.19 5.86 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 61.63 35.57 17.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.052 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -68.81 -55.61 10.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.67 -95.11 1.1 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.051 -0.595 . . . . 0.0 114.245 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -77.55 -13.29 59.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.737 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 2.6 m-20 -62.75 -25.61 68.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.724 0.297 . . . . 0.0 111.195 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.446 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.8 OUTLIER -60.4 -25.37 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 110.752 178.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -60.98 -33.3 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.57 -38.17 90.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.615 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' B' ' 618' ' ' ILE . 73.5 m-85 -68.49 -41.65 79.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.814 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -61.64 -37.22 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.829 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.79 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.145 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' B' ' 596' ' ' ILE . 8.2 t30 -79.43 -13.16 59.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.976 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.36 22.5 37.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.06 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.528 HG13 ' HB3' ' B' ' 594' ' ' ASN . 13.0 mt -85.58 -101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . 0.43 ' H ' ' HB ' ' B' ' 596' ' ' ILE . 21.4 p90 50.94 -3.32 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.07 173.75 6.23 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 9.6 ttt -80.85 135.67 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.93 -37.3 3.37 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.962 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . 0.411 ' HB3' HG23 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -58.85 -45.2 90.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -179.514 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.458 ' HB3' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.73 -41.34 96.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.476 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -43.48 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.764 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.39 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.406 ' HB3' HG21 ' B' ' 612' ' ' ILE . 43.1 mm-40 -63.1 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.977 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.678 ' HA ' HD11 ' B' ' 612' ' ' ILE . 2.1 t80 -66.1 -38.16 87.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.586 0.708 . . . . 0.0 110.217 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.27 -41.12 97.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -78.3 -38.75 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.915 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -131.25 139.46 49.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.414 ' HB2' ' CD2' ' B' ' 532' ' ' PHE . 2.2 p-10 -91.67 -6.67 51.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.965 0.412 . . . . 0.0 111.081 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 23.7 p-10 -125.77 42.54 3.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.125 0.488 . . . . 0.0 111.663 -178.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.799 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -57.04 -56.75 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.704 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.9 m-85 -58.2 -38.9 77.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.616 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -67.76 -36.98 81.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.265 0.555 . . . . 0.0 110.132 178.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.09 -42.68 75.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.507 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' B' ' 594' ' ' ASN . 48.5 pt -72.84 -22.41 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.32 4.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.001 -1.095 . . . . 0.0 114.021 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.0 mm -66.69 146.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.21 0.505 . . . . 0.0 109.757 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -64.66 126.47 28.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.027 0.442 . . . . 0.0 110.878 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -38.93 80.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.818 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -5.99 20.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 13.1 mtpt -126.35 -3.02 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.922 0.392 . . . . 0.0 110.845 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' B' ' 614' ' ' GLU . 3.7 tp -54.3 -44.63 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -48.15 82.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.456 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.11 -37.36 87.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.669 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.3 m-30 -65.76 -48.83 70.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.08 -37.36 87.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.756 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -48.53 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.38 83.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.496 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -56.61 -50.0 73.27 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.2 179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 1.1 mm? -64.13 -44.17 93.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.955 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 49.3 m -59.14 -44.33 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.165 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.7 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.7 t80 -61.36 -45.33 94.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.07 -42.23 94.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.588 ' NE ' ' HB3' ' B' ' 549' ' ' LEU . 2.7 mtp180 -60.84 -45.14 95.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' B' ' 567' ' ' SER . 70.5 mt -65.5 -44.61 94.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -41.42 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.01 -34.85 66.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.753 0.311 . . . . 0.0 110.327 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.93 -26.43 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.73 -38.5 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.599 0.714 . . . . 0.0 109.524 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -9.33 54.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.243 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -64.55 120.89 69.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.122 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 9.2 Cg_endo -86.58 66.24 4.74 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.191 2.594 . . . . 0.0 110.739 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' B' ' 644' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.534 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.752 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.2 p90 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.644 0.259 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.38 135.44 33.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.216 0.531 . . . . 0.0 112.332 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . 0.422 ' HE2' HD21 ' A' ' 631' ' ' LEU . 3.8 m-85 -92.39 141.67 28.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.419 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -128.34 148.34 50.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.964 0.411 . . . . 0.0 111.44 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.48 98.38 7.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.795 178.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -88.03 142.62 27.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.651 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.54 121.6 33.37 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.4 mm? -120.26 133.13 55.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.509 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 87.7 p -84.81 156.4 21.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.39 -29.9 59.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.011 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.07 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -83.58 -28.16 28.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.339 . . . . 0.0 110.742 179.301 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' B' ' 535' ' ' LEU . 77.6 t80 -52.73 -48.43 66.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.704 -177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.761 HG22 ' HG ' ' A' ' 642' ' ' LEU . 40.0 p -66.03 -33.44 75.81 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.825 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -43.39 83.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.035 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 541' ' ' GLU . 26.3 t -70.98 -44.78 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 111.808 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.7 t -59.96 -48.5 87.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.775 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -67.09 -33.39 75.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.311 -179.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.544 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.1 t80 -61.49 -49.74 75.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.8 mt -71.02 -30.36 66.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.796 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.29 73.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.447 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.6 mmt180 -63.8 -49.2 73.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.532 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.51 -32.54 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -74.33 -23.56 59.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.52 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . 0.425 ' HA ' ' OG ' ' A' ' 567' ' ' SER . 18.7 mttt -92.78 -47.75 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.981 0.42 . . . . 0.0 110.404 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.22 116.29 59.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.692 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.32 129.34 33.09 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.148 2.565 . . . . 0.0 112.646 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -25.53 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.475 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -148.39 149.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.6 m -89.2 99.98 12.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.071 0.462 . . . . 0.0 110.372 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 20.2 t90 -165.68 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.211 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.4 p -127.9 128.48 23.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.172 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.66 ' HG2' ' HA ' ' A' ' 582' ' ' ILE . 5.2 Cg_exo -76.14 61.92 6.64 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.881 2.387 . . . . 0.0 111.828 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . 0.442 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -73.51 -26.96 61.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.873 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . 0.508 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.46 -44.13 80.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.717 0.294 . . . . 0.0 111.676 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.578 HG13 ' HB1' ' A' ' 581' ' ' ALA . 7.5 p -78.91 -25.38 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.766 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -69.21 -38.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.142 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . 0.477 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -71.6 -13.95 61.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.392 0.615 . . . . 0.0 110.343 179.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -19.89 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.996 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -90.5 146.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 111.657 -179.416 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -102.34 138.02 19.58 Favored Pre-proline 0 C--N 1.313 -0.999 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 570' ' ' LEU . 40.3 Cg_endo -68.91 19.58 0.15 Allowed 'Trans proline' 0 C--N 1.334 -0.23 0 C-N-CA 122.374 2.05 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.674 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 19.1 p -107.71 -11.3 15.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.039 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.2 OUTLIER -97.36 6.15 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.282 0.563 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 101.34 -156.13 19.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.559 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -119.14 -11.28 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.788 0.294 . . . . 0.0 110.999 179.464 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -38.62 67.87 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.441 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.63 -37.63 85.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.708 179.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -63.08 -38.89 93.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.667 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -64.94 -44.8 88.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 23.9 m -61.87 -37.32 84.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.715 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . 0.578 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.36 -45.56 80.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.66 ' HA ' ' HG2' ' A' ' 562' ' ' PRO . 5.2 pt -93.37 5.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 62.82 39.38 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.661 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -117.37 52.51 0.97 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.332 0.587 . . . . 0.0 110.123 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.75 -12.74 67.95 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.477 -0.783 . . . . 0.0 114.664 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.87 -22.35 20.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.893 0.847 . . . . 0.0 110.537 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.6 -22.9 58.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.632 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.75 -25.3 60.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.519 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -59.23 -34.15 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.044 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.519 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -65.44 -39.32 91.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.728 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.584 ' CE1' HD11 ' A' ' 618' ' ' ILE . 79.7 m-85 -68.61 -43.83 75.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.518 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -57.86 -44.45 86.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.496 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.9 82.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.567 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -81.36 -12.47 58.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.635 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.12 36.17 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.543 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -104.05 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.752 0.311 . . . . 0.0 110.606 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -150.18 13.15 0.77 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.982 0.42 . . . . 0.0 110.563 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.14 172.45 6.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.674 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.34 136.97 35.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.318 -179.622 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -23.41 2.26 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.613 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.9 OUTLIER -57.81 -45.08 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.08 0.552 . . . . 0.0 111.42 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 25.0 ttp -61.8 -46.05 91.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.632 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.93 -40.02 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.707 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -61.81 -47.22 86.11 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -64.73 -33.9 77.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.0 110.112 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 612' ' ' ILE . 31.7 t80 -64.73 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.041 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -41.43 97.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -77.75 -27.41 50.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.522 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.457 ' HB2' HG13 ' A' ' 612' ' ' ILE . 74.7 m-70 -119.24 -147.04 0.39 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.969 0.414 . . . . 0.0 111.326 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.426 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.7 p-10 -168.45 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.73 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.05 41.0 3.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.988 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.0 OUTLIER -55.2 -52.45 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.363 -179.393 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.2 m-85 -59.89 -41.99 92.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.145 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.86 92.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.463 0.649 . . . . 0.0 110.295 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -42.47 75.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.92 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.2 pt -67.6 -25.68 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 114.44 32.13 2.03 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.153 -1.022 . . . . 0.0 113.508 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.63 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.989 0.395 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 128.77 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.356 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.706 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.99 -23.03 67.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.047 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -18.59 62.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -118.42 -6.03 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 13.7 tp -54.68 -44.6 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.557 0.536 . . . . 0.0 112.378 -178.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -47.87 82.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.283 0.563 . . . . 0.0 111.502 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -69.37 -33.69 73.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.418 0.627 . . . . 0.0 109.734 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.53 69.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.755 -1.112 . . . . 0.0 111.695 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -65.84 -31.85 73.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.59 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.7 -50.16 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.309 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.425 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.467 ' HE2' HD13 ' A' ' 612' ' ' ILE . 1.3 t80 -63.1 -50.49 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.737 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.575 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 3.4 mm? -66.7 -40.8 88.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.711 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 50.8 m -60.94 -39.14 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.931 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.766 ' HD1' HG13 ' A' ' 566' ' ' VAL . 28.0 t80 -63.51 -45.92 88.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.46 -38.18 83.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -65.62 -41.75 92.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.542 HD11 ' HB1' ' A' ' 553' ' ' ALA . 76.7 mt -61.54 -47.28 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 109.997 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 637' ' ' GLN . 8.1 tp60 -61.13 -42.93 99.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.161 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.26 -38.55 90.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.558 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -63.24 -27.03 69.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.507 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.8 mmm -68.57 -32.92 73.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.306 0.574 . . . . 0.0 109.717 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -4.94 45.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.949 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.761 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -57.67 123.51 63.17 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.163 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 C-N-CA 122.815 2.343 . . . . 0.0 112.348 179.703 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.535 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.24 138.83 52.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.24 0.543 . . . . 0.0 110.622 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 9.1 m-85 -89.24 131.68 35.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.386 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 147.71 51.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 137.9 34.52 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 120.935 0.398 . . . . 0.0 110.477 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.9 tp -118.03 143.74 46.17 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.43 120.59 32.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.035 0.445 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.585 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -123.71 126.69 46.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.104 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -81.97 155.04 25.42 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.237 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.752 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.63 -40.71 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -63.35 -46.67 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -81.29 -27.64 34.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.441 . . . . 0.0 111.086 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.585 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 67.4 t80 -53.42 -51.44 62.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.37 -177.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.895 HG22 ' HG ' ' B' ' 642' ' ' LEU . 24.6 p -64.6 -35.81 82.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.021 0.439 . . . . 0.0 110.733 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -66.72 -44.54 81.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.147 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.44 HG21 HD11 ' B' ' 537' ' ' LEU . 20.9 t -70.4 -45.3 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.525 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.3 t -59.65 -50.8 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.768 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -68.52 -32.79 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.504 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.14 -47.29 83.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.7 mt -72.19 -35.52 68.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.093 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.34 73.91 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.825 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.768 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 19.7 mmt85 -65.04 -43.27 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.65 -34.03 76.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.364 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.02 -32.97 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.972 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -74.8 -57.9 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 110.017 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.48 122.11 58.29 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.789 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 18.6 Cg_endo -57.69 127.5 25.52 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.38 2.054 . . . . 0.0 111.622 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -125.93 -10.94 6.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.665 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.47 131.09 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.47 109.55 19.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -174.39 -55.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.057 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.47 133.0 22.82 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.214 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.82 69.18 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.783 2.322 . . . . 0.0 112.028 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -36.92 80.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.565 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -56.67 -49.12 76.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.499 -179.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.586 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -69.96 -32.35 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.163 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.868 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.4 t -65.01 -42.77 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.405 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.424 0.63 . . . . 0.0 109.557 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.1 -25.43 62.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.9 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' B' ' 566' ' ' VAL . 18.5 mt -76.83 130.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.58 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -87.22 122.38 70.96 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 176.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' B' ' 570' ' ' LEU . 26.1 Cg_endo -64.61 6.91 0.28 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.067 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.81 ' HA ' ' HB2' ' B' ' 599' ' ' MET . 54.6 p -95.92 -3.63 44.91 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.8 OUTLIER -102.66 2.6 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.364 0.602 . . . . 0.0 109.629 178.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 105.94 -144.18 15.79 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.331 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -126.97 -2.3 6.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.766 0.283 . . . . 0.0 111.206 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -45.02 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.844 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.0 -47.12 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -61.84 -42.13 98.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.36 0.6 . . . . 0.0 109.578 178.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.0 m -62.52 -39.64 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.2 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -58.37 -41.52 84.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.136 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.532 ' HB ' ' HE3' ' B' ' 625' ' ' LYS . 5.4 pt -95.23 5.27 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt 61.77 42.01 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.639 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -120.41 55.71 1.01 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -79.6 24.05 3.32 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.725 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -122.39 -27.32 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.79 0.805 . . . . 0.0 109.681 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.72 -20.5 59.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.25 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.581 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.33 -25.91 50.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.885 179.739 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.559 HG12 HD22 ' B' ' 590' ' ' LEU . 1.6 p -58.99 -34.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.119 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.559 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.64 -36.6 82.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.065 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.581 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 87.3 m-85 -67.44 -42.75 82.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.751 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.36 -35.47 73.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.364 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.79 91.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.33 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . 0.854 HD22 HD11 ' B' ' 596' ' ' ILE . 56.3 t30 -79.76 -11.93 59.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.34 20.59 29.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.23 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.854 HD11 HD22 ' B' ' 594' ' ' ASN . 2.9 mt -100.5 90.18 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.64 0.257 . . . . 0.0 110.887 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.61 12.11 2.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.067 0.46 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.37 173.83 8.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.215 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.81 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 3.9 ptt? -80.32 152.71 28.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -41.45 1.81 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -39.46 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.805 0.442 . . . . 0.0 111.85 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.1 ttm -58.69 -48.85 79.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.319 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . 0.759 HG12 ' HG2' ' B' ' 637' ' ' GLN . 1.1 mp -69.78 -41.91 79.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.384 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -58.55 -42.02 86.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.684 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . 0.803 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -65.06 -33.33 75.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.936 ' HA ' HD11 ' B' ' 612' ' ' ILE . 76.7 t80 -67.31 -39.25 85.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.708 0.289 . . . . 0.0 110.546 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 21.5 mt-10 -72.94 -44.74 60.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.16 0.505 . . . . 0.0 110.49 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -77.4 -29.41 53.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.515 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 8.0 m-70 -123.89 -50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 11.2 t-20 77.05 -43.17 0.43 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.211 0.604 . . . . 0.0 111.38 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 14.1 t70 -93.36 33.31 1.24 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.936 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.4 OUTLIER -60.08 -56.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.984 -178.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . 0.415 ' HB3' HG13 ' B' ' 618' ' ' ILE . 2.1 m-85 -57.96 -41.56 83.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . 0.451 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.9 OUTLIER -68.2 -36.29 79.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.0 110.049 178.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 1.6 ttt-85 -70.18 -42.35 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.798 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' B' ' 594' ' ' ASN . 34.3 pt -68.27 -26.38 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.32 35.6 2.09 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.623 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.9 mm -65.88 144.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.24 136.65 56.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -64.19 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.015 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -15.95 63.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 111.24 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 5.4 mtmp? -117.02 -10.31 10.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 11.2 tp -54.5 -45.22 73.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -47.95 82.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . 0.532 ' HE3' ' HB ' ' B' ' 582' ' ' ILE . 0.2 OUTLIER -70.28 -34.02 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.429 0.633 . . . . 0.0 109.74 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' B' ' 622' ' ' LYS . 0.2 OUTLIER -59.72 -52.99 63.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.373 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.16 -32.64 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -50.67 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.18 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.09 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.31 -49.29 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.491 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 3.7 mm? -62.88 -44.87 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 17.4 m -62.5 -37.11 84.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.552 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.5 OUTLIER -64.98 -41.52 95.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.886 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.7 -38.16 84.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.378 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.476 HD11 ' HB1' ' B' ' 553' ' ' ALA . 28.2 mt -65.41 -45.66 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.319 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.759 ' HG2' HG12 ' B' ' 603' ' ' ILE . 9.2 tp60 -57.6 -42.81 83.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.315 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.14 -35.0 79.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.199 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.655 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -62.96 -28.58 70.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.5 mtt -69.67 -23.28 63.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 109.455 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . 0.524 ' HE3' ' HG3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -95.79 -5.9 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.613 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.895 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.3 OUTLIER -64.23 119.67 58.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.708 -179.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.84 -7.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.839 2.359 . . . . 0.0 111.947 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.432 ' HB2' HG21 ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.565 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' TYR . . . . . 0.642 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.47 121.57 13.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.939 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.02 128.88 35.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 137.88 53.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.949 0.404 . . . . 0.0 111.264 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 104.63 16.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.943 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' LEU . . . . . 0.492 HD22 ' HE1' ' B' ' 542' ' ' TYR . 1.7 tp -105.07 150.25 25.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.175 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.54 121.95 32.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.348 0.594 . . . . 0.0 109.711 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.0 OUTLIER -110.2 129.04 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.209 -179.017 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.648 ' HB2' ' CE1' ' B' ' 530' ' ' TYR . 85.8 p -78.56 157.6 28.74 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -28.09 63.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.35 -48.0 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 541' ' ' GLU . 0.5 OUTLIER -82.62 -27.67 31.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . 0.563 ' HA ' HD12 ' A' ' 537' ' ' LEU . 70.2 t80 -52.89 -50.2 64.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.883 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.997 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.2 p -66.99 -34.96 78.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.32 0.581 . . . . 0.0 110.76 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.9 -44.4 85.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.24 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' B' ' 549' ' ' LEU . 54.3 t -71.39 -44.22 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.678 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 52.3 t -59.72 -49.5 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.942 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -65.78 -34.27 77.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.096 -179.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' PHE . . . . . 0.598 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.1 t80 -59.21 -51.53 69.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.182 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' LEU . . . . . 0.632 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.1 mt -72.27 -27.53 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.716 0.293 . . . . 0.0 111.33 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.2 mmt85 -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.434 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.425 ' HG3' ' HA ' ' A' ' 549' ' ' LEU . 2.0 mt-10 -67.94 -32.15 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.275 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.86 -38.69 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.75 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -71.37 -55.57 7.72 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 72.4 t -94.44 118.55 66.97 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 3.5 Cg_endo -46.26 124.19 7.42 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.548 2.165 . . . . 0.0 113.126 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -141.84 6.49 1.81 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.057 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.62 124.73 51.68 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.348 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -21.03 17.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.497 0.665 . . . . 0.0 110.029 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.412 ' HZ3' ' CA ' ' A' ' 625' ' ' LYS . 2.7 t90 -80.24 -45.7 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.761 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 4.3 p -127.24 131.89 24.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.036 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 45.9 Cg_exo -57.46 129.9 36.31 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 111.752 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.44 -35.63 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.9 78.34 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.66 -30.76 49.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.31 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.2 t -70.7 -40.63 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.44 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -14.14 61.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.405 0.621 . . . . 0.0 110.127 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -10.97 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.59 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.589 HG12 ' HD2' ' A' ' 577' ' ' ARG . 2.7 mt -90.45 145.5 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.694 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.9 OUTLIER -94.39 123.52 58.3 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' PRO . . . . . 0.694 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.7 Cg_endo -65.6 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.142 2.562 . . . . 0.0 113.078 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 570' ' ' LEU . 21.8 p -103.34 -8.55 20.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.35 0.595 . . . . 0.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.28 -118.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.648 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.446 ' HA3' ' OE1' ' A' ' 576' ' ' GLU . . . -143.02 159.86 27.47 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.217 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -68.88 -3.9 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.446 ' OE1' ' HA3' ' A' ' 574' ' ' GLY . 5.7 pm0 -55.62 -40.03 71.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.713 0.292 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' ARG . . . . . 0.589 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.73 -41.26 75.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.007 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -65.37 -42.73 92.42 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.787 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -60.33 -37.6 81.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.111 0.481 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.45 75.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.514 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' ILE . . . . . 0.477 ' HB ' ' HE2' ' A' ' 625' ' ' LYS . 7.7 pt -102.38 9.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.417 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 41.37 6.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -102.73 54.01 0.78 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.672 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -66.63 -16.41 65.54 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.727 -0.669 . . . . 0.0 114.073 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -111.15 -28.87 8.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.805 0.803 . . . . 0.0 111.743 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' ASP . . . . . 0.57 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.5 m-20 -64.62 -23.19 67.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.636 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' SER . . . . . 0.518 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -58.65 -26.06 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.491 179.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.69 -33.87 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.45 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' LEU . . . . . 0.456 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.55 -37.76 88.56 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.552 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 618' ' ' ILE . 80.1 m-85 -68.67 -41.39 79.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.404 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.47 -40.86 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.352 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.63 83.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.274 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -81.5 -10.13 59.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.125 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.93 40.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.394 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 591' ' ' PHE . 15.7 mt -89.78 -97.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 122.156 0.182 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 575' ' ' LEU . 21.3 p90 54.1 -2.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.528 1.531 . . . . 0.0 115.025 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.63 147.71 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.138 0.426 . . . . 0.0 110.526 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -81.08 143.09 32.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 96.92 -42.31 2.2 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -39.99 92.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.92 -0.64 . . . . 0.0 109.503 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' MET . . . . . 0.42 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.95 -34.48 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.485 178.638 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -67.92 -39.87 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -44.18 91.52 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.849 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.74 -33.91 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.02 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' A' ' 612' ' ' ILE . 47.0 t80 -66.81 -38.04 85.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.125 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.38 -42.93 74.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.65 -36.91 65.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.483 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 52.4 m-70 -118.37 -138.18 0.35 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.448 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 2.6 p30 -173.11 -32.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 615' ' ' ARG . 2.5 t0 -105.56 39.36 1.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.272 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.9 OUTLIER -54.68 -55.13 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.316 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' PHE . . . . . 0.46 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.1 m-85 -58.43 -44.49 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.69 84.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.19 0.519 . . . . 0.0 110.306 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 611' ' ' ASP . 0.2 OUTLIER -66.32 -43.04 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.306 -179.507 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 40.8 pt -71.86 -23.62 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.27 30.64 2.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.112 -1.042 . . . . 0.0 113.747 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.518 HD11 ' CE1' ' A' ' 591' ' ' PHE . 24.1 mm -68.77 145.69 13.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 116.969 0.385 . . . . 0.0 110.212 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 622' ' ' LYS . 21.0 t70 -65.32 130.56 43.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 111.146 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' SER . . . . . 0.795 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -68.58 -30.96 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -13.97 60.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.721 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.762 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 31.1 mtmt -127.88 3.17 5.98 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' LEU . . . . . 0.795 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.4 tp -53.85 -44.75 70.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.002 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 628' ' ' GLU . 0.0 OUTLIER -59.99 -46.99 87.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.98 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' LYS . . . . . 0.762 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -63.91 -37.58 87.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.254 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 2.8 m-85 -67.18 -48.72 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.097 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -65.33 -35.27 80.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HB3' HG11 ' A' ' 561' ' ' VAL . 1.6 tp10 -59.87 -49.0 79.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.347 0.594 . . . . 0.0 110.611 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.81 -35.28 78.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.903 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' PHE . . . . . 0.678 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -60.17 -49.93 75.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.412 -179.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 631' ' ' LEU . 2.5 mm? -63.13 -43.89 97.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 111.152 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.561 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 19.2 m -63.04 -37.6 87.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD2' HG13 ' A' ' 566' ' ' VAL . 15.6 t80 -65.47 -45.08 85.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.96 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.16 -38.33 82.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.632 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.52 -41.01 98.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.591 HD11 ' HB1' ' A' ' 553' ' ' ALA . 53.2 mt -63.38 -48.67 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -41.62 89.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.579 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.81 -41.19 87.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.98 -26.77 68.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.566 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -35.5 74.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.798 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -4.8 43.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.997 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -56.42 119.88 31.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.615 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 54.1 Cg_endo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 123.62 2.88 . . . . 0.0 110.901 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 530' ' ' TYR . . . . . 0.648 ' CE1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 133.7 51.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.145 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.08 131.98 34.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.43 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -109.79 128.38 55.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.734 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.41 111.86 17.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 535' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 542' ' ' TYR . 17.5 tp -100.84 139.75 36.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.91 120.9 33.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.301 0.572 . . . . 0.0 111.091 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 537' ' ' LEU . . . . . 0.458 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -121.92 124.42 44.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.496 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.6 156.05 25.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 539' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -50.46 -44.85 55.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.38 89.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 541' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -82.48 -29.65 30.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.938 0.399 . . . . 0.0 111.469 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 542' ' ' TYR . . . . . 0.492 ' HE1' HD22 ' A' ' 535' ' ' LEU . 76.9 t80 -54.21 -52.51 61.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 543' ' ' THR . . . . . 0.807 HG22 ' HG ' ' B' ' 642' ' ' LEU . 29.8 p -62.99 -37.2 86.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.916 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.88 -44.71 80.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 545' ' ' VAL . . . . . 0.443 HG22 ' HE2' ' A' ' 548' ' ' PHE . 97.9 t -70.79 -43.93 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.382 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 546' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' B' ' 639' ' ' ALA . 54.1 t -59.94 -49.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.998 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 547' ' ' GLU . . . . . 0.771 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.22 -36.48 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.551 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -58.3 -47.13 84.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.781 -179.309 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 16.2 mt -71.22 -29.91 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.23 76.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.628 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 551' ' ' ARG . . . . . 0.771 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt85 -66.96 -42.82 84.53 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.262 0.553 . . . . 0.0 109.67 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 552' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 557' ' ' ARG . 0.1 OUTLIER -62.88 -43.25 99.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.011 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' B' ' 636' ' ' ILE . . . -77.68 -17.93 57.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.994 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -80.44 -52.12 8.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.102 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 4.1 m -85.28 155.54 60.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.991 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -65.4 124.1 12.41 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 108.92 -1.223 . . . . 0.0 108.92 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 557' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' B' ' 552' ' ' GLU . 1.5 ttt180 -167.0 23.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.347 0.594 . . . . 0.0 110.038 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -142.66 132.45 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.774 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -27.92 9.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.033 0.444 . . . . 0.0 111.056 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 560' ' ' TRP . . . . . 0.746 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 22.7 t90 -78.73 -39.9 35.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.626 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 561' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.5 p -118.64 127.49 26.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.78 63.46 8.74 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.763 2.309 . . . . 0.0 112.468 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 563' ' ' THR . . . . . 0.416 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -74.7 -19.37 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.299 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -58.52 -40.2 82.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.803 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' B' ' 581' ' ' ALA . 8.0 p -81.4 -21.36 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 566' ' ' VAL . . . . . 0.786 HG13 ' HD2' ' B' ' 633' ' ' PHE . 1.2 t -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.976 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 567' ' ' SER . . . . . 0.423 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.85 -14.08 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.235 0.541 . . . . 0.0 110.502 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -19.23 53.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 569' ' ' ILE . . . . . . . . . . . . . 1.6 mt -82.47 145.49 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.315 0.578 . . . . 0.0 111.326 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 570' ' ' LEU . . . . . 0.708 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -93.81 126.97 47.43 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.852 178.008 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 571' ' ' PRO . . . . . 0.817 ' HA ' ' HG3' ' B' ' 599' ' ' MET . 44.3 Cg_endo -69.97 15.82 0.24 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.922 2.414 . . . . 0.0 112.044 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 570' ' ' LEU . 81.3 p -102.51 -4.79 24.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.142 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -104.29 -130.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.442 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 574' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' B' ' 599' ' ' MET . . . -115.57 -153.83 10.36 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.619 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 575' ' ' LEU . . . . . 0.616 HD22 ' SD ' ' B' ' 602' ' ' MET . 0.0 OUTLIER -115.54 -2.33 12.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.978 0.418 . . . . 0.0 110.322 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.35 -42.69 74.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -37.36 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.23 -44.98 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.474 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 579' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.32 -44.15 88.75 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.402 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 37.6 m -60.57 -37.16 80.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.168 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 581' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.94 -43.14 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.492 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 582' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.4 pt -94.58 9.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.22 40.91 14.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.24 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 584' ' ' ALA . . . . . 0.527 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -97.82 49.89 1.03 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.839 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.25 62.63 2.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 179.32 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.409 0.624 . . . . 0.0 109.525 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 587' ' ' ASP . . . . . 0.499 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 12.4 m-20 -65.17 -24.69 67.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.051 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 588' ' ' SER . . . . . 0.568 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -25.9 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 589' ' ' VAL . . . . . 0.471 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -62.18 -33.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.369 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 590' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -65.39 -38.82 91.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.566 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 591' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 85.0 m-85 -67.99 -41.53 82.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.159 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 592' ' ' ASN . . . . . 0.439 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 5.5 t-20 -62.46 -40.49 96.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.279 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.46 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.842 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.31 -11.77 59.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.349 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 88.43 17.5 56.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.639 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 596' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 591' ' ' PHE . 17.4 mt -81.73 -95.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 597' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' B' ' 575' ' ' LEU . 40.7 p90 52.15 -5.34 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 598' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.09 147.65 36.86 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.662 -0.649 . . . . 0.0 110.41 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 599' ' ' MET . . . . . 0.817 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.44 150.92 28.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 94.97 -46.41 2.06 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.27 -35.98 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.366 0.603 . . . . 0.0 109.426 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 602' ' ' MET . . . . . 0.616 ' SD ' HD22 ' B' ' 575' ' ' LEU . 3.3 ttp -62.56 -39.26 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -41.36 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.362 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -62.52 -43.32 99.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.653 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.79 -36.11 82.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.125 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 606' ' ' PHE . . . . . 0.642 ' HA ' HD11 ' B' ' 612' ' ' ILE . 35.3 t80 -65.85 -41.15 92.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.31 -42.58 88.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.718 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -76.22 -30.48 57.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 41.8 m-70 -117.55 -138.27 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 1.2 p30 175.23 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -102.91 34.21 2.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.553 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 612' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -57.63 -61.28 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.124 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.75 -41.67 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.366 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.85 -37.05 83.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.272 0.558 . . . . 0.0 110.27 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.39 -42.27 92.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.19 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 38.3 pt -73.07 -23.72 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.794 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.25 3.87 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.836 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 618' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.8 mm -66.44 146.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.58 ' HB3' ' HE2' ' B' ' 622' ' ' LYS . 8.6 t0 -64.66 120.31 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.773 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.5 m -71.24 -14.99 62.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.685 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.8 -18.69 61.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.863 -0.523 . . . . 0.0 110.398 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 622' ' ' LYS . . . . . 0.58 ' HE2' ' HB3' ' B' ' 619' ' ' ASP . 15.8 mtmt -128.38 2.6 5.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 623' ' ' LEU . . . . . 0.773 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 13.4 tp -53.01 -36.96 61.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.396 0.678 . . . . 0.0 112.608 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 624' ' ' SER . . . . . 0.746 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -59.02 -47.39 85.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.947 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.92 82.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.78 -47.43 85.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.699 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.03 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 628' ' ' GLU . . . . . 0.761 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.6 tp10 -60.86 -48.77 80.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 109.716 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.56 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.435 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 630' ' ' PHE . . . . . 0.561 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.3 t80 -58.94 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 631' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.2 mm? -64.24 -44.15 92.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -60.55 -42.38 96.43 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 633' ' ' PHE . . . . . 0.786 ' HD2' HG13 ' B' ' 566' ' ' VAL . 14.4 t80 -63.5 -37.83 88.82 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.202 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -60.08 -41.72 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.369 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 635' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 27.3 mmt180 -66.55 -46.22 76.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 636' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 640' ' ' MET . 77.0 mt -60.83 -45.56 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.494 ' HB3' HE21 ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.34 -46.26 86.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.834 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 638' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -65.78 -39.99 91.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.518 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . 0.576 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.62 -27.09 68.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.309 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 640' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 21.1 mtt -67.5 -33.28 74.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.271 0.558 . . . . 0.0 109.835 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -4.88 42.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.288 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 642' ' ' LEU . . . . . 0.807 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 tp -53.01 114.72 6.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.731 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 643' ' ' PRO . . . . . 0.445 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 83.9 Cg_endo -94.48 -144.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.294 2.663 . . . . 0.0 111.26 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 644' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.592 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.089 0.471 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -176.85 -61.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' B' ' 538' ' ' SER . 19.7 t80 -154.54 87.58 1.17 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.693 -1.139 . . . . 0.0 108.549 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.41 146.62 30.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.611 ' HE2' HD21 ' A' ' 631' ' ' LEU . 9.7 m-85 -110.05 142.62 41.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.021 178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -126.16 126.27 43.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.022 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.69 111.76 17.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.653 HD13 ' HE1' ' B' ' 542' ' ' TYR . 11.8 tp -96.95 150.78 20.37 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.782 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.64 119.18 30.67 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.541 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 2.0 mm? -118.3 113.27 21.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.46 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' B' ' 532' ' ' PHE . 0.0 OUTLIER -71.55 157.4 38.07 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.14 -47.41 17.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -177.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . 0.403 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . . . -69.87 -44.59 69.51 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.97 -31.75 64.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.378 0.609 . . . . 0.0 110.206 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.599 ' CE1' HD13 ' B' ' 535' ' ' LEU . 65.3 t80 -58.16 -50.9 71.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.536 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.814 HG22 ' HG ' ' A' ' 642' ' ' LEU . 4.5 p -66.9 -33.34 75.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -61.95 -46.2 90.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.81 -43.87 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.408 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 542' ' ' TYR . 47.6 t -59.51 -47.72 89.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.717 ' HG3' ' HD2' ' A' ' 644' ' ' LYS . 0.0 OUTLIER -68.91 -36.37 77.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.251 -179.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.523 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.6 t80 -58.98 -50.89 72.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.058 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.6 mt -71.71 -28.8 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.202 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.31 86.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 10.9 mmt85 -67.72 -37.31 82.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.703 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.413 ' HB3' ' HE1' ' A' ' 558' ' ' TYR . 3.2 mm-40 -66.25 -39.66 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.459 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.14 -34.52 49.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.872 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.22 -54.7 21.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.5 122.32 59.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 564' ' ' GLN . 9.7 Cg_endo -52.76 126.01 19.83 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.36 2.04 . . . . 0.0 112.811 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -152.13 14.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.598 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . 0.413 ' HE1' ' HB3' ' A' ' 552' ' ' GLU . 50.3 m-85 -130.54 123.44 29.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.642 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.63 -20.67 16.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.297 0.57 . . . . 0.0 109.783 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.431 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 6.5 t90 -69.08 -39.49 79.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.067 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.5 p -135.22 122.14 14.8 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.915 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.73 87.27 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.783 2.322 . . . . 0.0 112.165 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -24.49 35.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.322 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.537 ' HB3' ' HB3' ' A' ' 556' ' ' PRO . 5.9 pm0 -57.4 -40.59 78.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 569' ' ' ILE . 13.2 p -77.69 -30.26 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.694 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.04 -42.3 91.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 -179.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -14.7 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.558 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -20.35 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.69 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 566' ' ' VAL . 9.6 mt -77.02 134.44 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.285 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.601 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -88.81 119.19 69.9 Favored Pre-proline 0 N--CA 1.434 -1.237 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 176.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.601 ' HD2' HD13 ' A' ' 570' ' ' LEU . 17.9 Cg_endo -60.08 -3.02 2.0 Allowed 'Trans proline' 0 CA--C 1.521 -0.163 0 C-N-CA 122.64 2.227 . . . . 0.0 112.31 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 570' ' ' LEU . 71.2 p -81.12 -17.3 50.42 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.336 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -27.01 25.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.616 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 128.91 -134.26 7.94 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -129.95 0.77 4.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.605 0.241 . . . . 0.0 110.572 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.14 -46.35 75.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.674 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.408 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.23 -36.75 77.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.689 0.28 . . . . 0.0 110.47 179.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.87 -43.71 94.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -67.49 -40.57 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 32.8 m -60.86 -37.87 83.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.07 68.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.77 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 30.1 pt -103.27 5.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.503 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 583' ' ' LYS . 0.4 OUTLIER 65.58 43.36 3.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.302 0.572 . . . . 0.0 111.172 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.6 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.25 51.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -65.38 -18.66 65.66 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -31.93 9.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.45 0.625 . . . . 0.0 111.169 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.453 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 4.6 m-20 -70.72 -24.41 62.64 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.398 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.524 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.39 -25.85 64.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.972 0.415 . . . . 0.0 111.007 179.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -61.84 -33.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.204 -179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.475 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -63.4 -37.14 86.14 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.051 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 618' ' ' ILE . 57.1 m-85 -68.14 -44.75 75.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -38.76 81.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.222 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.95 92.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.31 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -84.59 -6.58 59.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.771 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.27 21.41 41.58 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.52 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 575' ' ' LEU . 6.1 mt -99.71 98.55 7.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.892 0.377 . . . . 0.0 110.361 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.59 19.87 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.13 11.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.278 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 11.1 ttt -80.22 137.73 36.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.322 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.75 -36.28 3.7 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.248 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -45.12 95.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -42.89 96.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.591 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.0 OUTLIER -68.85 -41.65 82.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.065 0.46 . . . . 0.0 109.994 179.032 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 -61.85 -45.26 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.808 ' HB3' HG12 ' A' ' 612' ' ' ILE . 3.8 mm-40 -62.18 -34.09 75.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.281 0.562 . . . . 0.0 110.173 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.904 ' HA ' HD11 ' A' ' 612' ' ' ILE . 85.4 t80 -69.28 -38.48 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.576 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 24.5 mt-10 -74.17 -36.44 64.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.259 0.552 . . . . 0.0 110.29 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.67 -40.59 48.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.944 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -124.04 -54.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 85.27 -30.74 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.092 0.87 . . . . 0.0 110.15 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -94.0 28.19 2.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.221 0.534 . . . . 0.0 109.965 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.904 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.7 OUTLIER -51.24 -52.0 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.899 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 591' ' ' PHE . 2.5 m-85 -57.83 -43.88 86.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.949 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -35.8 80.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.294 0.569 . . . . 0.0 110.312 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -43.47 70.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.712 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.6 pt -72.36 -22.84 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.07 30.9 3.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.881 -1.152 . . . . 0.0 113.716 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.0 mm -67.74 146.14 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 622' ' ' LYS . 3.3 t70 -65.28 123.63 20.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.146 0.498 . . . . 0.0 110.98 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.713 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.09 -24.13 66.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.331 . . . . 0.0 111.428 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.452 ' HE2' ' HB2' ' A' ' 622' ' ' LYS . 20.8 mtmm -129.47 11.52 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.231 0.539 . . . . 0.0 109.86 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.713 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.2 tp -54.67 -42.79 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -48.53 81.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.903 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.431 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 1.0 OUTLIER -63.14 -38.64 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.409 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 3.4 m-85 -65.15 -48.98 71.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.59 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.452 ' O ' HD23 ' A' ' 631' ' ' LEU . 9.0 m-85 -65.3 -32.65 74.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.779 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.6 -50.23 70.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.03 80.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.472 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.753 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.238 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.612 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 1.4 mm? -64.85 -44.07 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.025 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -38.69 92.19 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.483 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.694 ' HD1' HG13 ' A' ' 566' ' ' VAL . 4.8 t80 -61.87 -45.86 91.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.94 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -61.41 -41.69 97.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.777 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 4.2 mmt85 -62.5 -45.37 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.915 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' A' ' 553' ' ' ALA . 70.8 mt -61.37 -46.56 96.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.093 0.473 . . . . 0.0 110.356 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.467 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -57.54 -46.46 83.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.939 -179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.6 -35.88 75.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.119 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.476 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.15 -28.6 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.687 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -29.47 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.141 0.496 . . . . 0.0 109.924 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -6.6 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.72 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.814 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -66.0 121.64 77.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.993 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 2.8 Cg_exo -76.07 -26.22 9.47 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.862 2.374 . . . . 0.0 111.506 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.717 ' HD2' ' HG3' ' A' ' 547' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.569 0.223 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' B' ' 530' ' ' TYR . 4.2 t-20 64.57 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.848 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.647 ' CE2' ' HB3' ' B' ' 627' ' ' TYR . 1.5 t80 -134.11 50.07 2.22 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.986 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 155.9 32.08 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.79 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 37.7 m-85 -100.47 139.73 35.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.541 0.686 . . . . 0.0 112.249 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.98 128.31 48.39 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.572 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 121.77 19.85 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.094 0.473 . . . . 0.0 111.453 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.599 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.7 tp -115.84 136.9 52.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.231 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 122.68 34.37 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.321 0.581 . . . . 0.0 110.108 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.493 HD11 HG21 ' B' ' 545' ' ' VAL . 1.9 mm? -114.11 127.64 56.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.448 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.612 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -74.58 158.87 32.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 177.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -47.56 67.78 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.79 -43.83 67.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 111.807 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.433 ' OE2' HD22 ' A' ' 549' ' ' LEU . 1.2 mm-40 -66.96 -33.55 75.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.181 0.515 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.653 ' HE1' HD13 ' A' ' 535' ' ' LEU . 86.9 t80 -57.22 -52.34 65.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.984 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.669 ' HA ' HD21 ' B' ' 642' ' ' LEU . 1.4 p -66.37 -34.78 78.73 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' B' ' 541' ' ' GLU . 7.5 ttpt -65.16 -44.6 88.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.268 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.493 HG21 HD11 ' B' ' 537' ' ' LEU . 37.8 t -70.15 -44.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.5 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.0 t -59.44 -47.42 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.122 0.487 . . . . 0.0 110.205 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.707 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -68.63 -35.81 77.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.207 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.515 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.91 -51.03 71.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.111 -179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' B' ' 635' ' ' ARG . 11.1 mt -67.36 -30.23 69.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 0.0 110.598 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.44 77.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.033 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 17.0 mmt85 -68.83 -44.35 73.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.233 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.84 -41.21 99.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.36 -18.81 57.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.994 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.12 -71.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.475 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.4 t -76.16 125.9 87.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.76 124.66 14.02 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.327 2.018 . . . . 0.0 112.595 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . 0.627 ' HG3' ' HD1' ' B' ' 558' ' ' TYR . 0.0 OUTLIER -147.59 -3.2 0.55 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.588 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . 0.627 ' HD1' ' HG3' ' B' ' 557' ' ' ARG . 1.7 m-85 -122.23 146.47 47.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -18.06 11.79 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.616 ' CZ3' ' HA ' ' B' ' 625' ' ' LYS . 9.8 t90 -70.59 -46.25 63.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.847 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.553 HG13 ' CE3' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -124.39 134.81 25.82 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.975 178.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' B' ' 582' ' ' ILE . 6.3 Cg_exo -79.67 60.74 7.94 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.816 2.344 . . . . 0.0 111.427 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . 0.521 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -70.83 -23.17 62.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 -179.319 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.461 ' HG2' ' N ' ' B' ' 565' ' ' VAL . 18.7 pm0 -59.16 -35.66 73.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.56 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.3 p -87.01 -25.87 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.74 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -64.96 -38.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.667 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.64 -14.9 62.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.38 0.61 . . . . 0.0 110.141 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -91.56 -17.09 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.498 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.74 HD12 ' HA ' ' B' ' 566' ' ' VAL . 82.8 mt -74.35 136.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.883 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' B' ' 570' ' ' LEU . 0.2 OUTLIER -89.97 114.07 59.46 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.507 ' HD2' HD13 ' B' ' 570' ' ' LEU . 24.3 Cg_endo -63.03 3.76 0.5 Allowed 'Trans proline' 0 C--O 1.226 -0.112 0 C-N-CA 122.589 2.193 . . . . 0.0 112.011 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.493 ' H ' ' C ' ' B' ' 570' ' ' LEU . 82.4 p -89.99 -17.5 27.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.306 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 2.5 mt-10 -79.71 -17.7 52.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.495 0.664 . . . . 0.0 109.928 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 122.18 -136.0 10.62 Favored Glycine 0 N--CA 1.437 -1.296 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.558 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -124.26 -5.28 7.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.93 0.365 . . . . 0.0 110.592 179.393 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -58.95 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.575 -178.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.678 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -61.87 -37.61 85.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.334 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.08 -43.13 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.713 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.1 OUTLIER -65.44 -41.64 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.655 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 22.8 m -59.99 -38.56 82.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.98 76.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.82 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.461 HG22 ' HD2' ' B' ' 562' ' ' PRO . 20.3 pt -96.91 6.21 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.631 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.83 41.51 4.94 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.855 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -94.8 49.75 1.26 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.72 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.6 -11.09 64.86 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 113.412 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.64 -32.02 8.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.212 0.53 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.18 -23.18 59.19 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.53 -26.06 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.02 0.438 . . . . 0.0 110.701 179.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.527 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.91 -34.11 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.411 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.527 HD22 HG12 ' B' ' 589' ' ' VAL . 1.4 mm? -64.66 -36.53 84.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.975 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 62.6 m-85 -68.24 -45.26 73.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.629 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.07 -39.6 86.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.005 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.92 87.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.118 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.454 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.7 t-20 -81.78 -12.2 58.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.295 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.04 18.5 36.79 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.558 HG22 ' CD2' ' B' ' 575' ' ' LEU . 5.2 mt -98.91 100.61 10.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.687 0.28 . . . . 0.0 110.869 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -152.16 16.5 0.64 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.053 0.454 . . . . 0.0 110.773 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.49 172.45 7.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.293 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 5.0 ptt? -80.96 141.45 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.095 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.55 -30.44 2.23 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.42 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' B' ' 605' ' ' GLU . 4.5 t70 -58.72 -44.93 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -45.18 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.588 0.232 . . . . 0.0 110.91 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.436 HG21 HE22 ' B' ' 637' ' ' GLN . 0.7 OUTLIER -68.85 -40.6 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.527 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -65.8 -40.44 91.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -65.08 -33.97 77.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.698 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.76 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.3 t80 -66.36 -38.36 87.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.415 0.626 . . . . 0.0 109.832 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.7 -42.65 73.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -76.51 -38.47 55.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.617 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -110.78 -57.14 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 84.71 -28.06 0.09 Allowed 'General case' 0 N--CA 1.48 1.028 0 O-C-N 124.092 0.87 . . . . 0.0 110.833 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -105.58 32.37 4.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.609 0.718 . . . . 0.0 109.823 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -55.09 -59.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.806 -1.088 . . . . 0.0 112.124 -179.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.531 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.4 m-85 -57.8 -39.12 76.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.146 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -65.55 -41.68 92.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.211 0.529 . . . . 0.0 110.374 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -70.55 -43.34 69.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.6 pt -67.99 -26.96 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.745 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.62 31.98 2.62 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.002 -1.094 . . . . 0.0 114.06 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.6 mm -66.81 145.5 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.557 ' OD2' ' HG3' ' B' ' 622' ' ' LYS . 1.2 t70 -64.82 121.3 14.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 110.089 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.605 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -63.6 -22.47 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 4.3 m -71.63 -18.91 62.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.102 0.477 . . . . 0.0 110.716 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.557 ' HG3' ' OD2' ' B' ' 619' ' ' ASP . 28.7 mtmm -124.0 0.97 8.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.8 tp -53.83 -44.12 70.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.613 -178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.588 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.7 OUTLIER -60.67 -47.16 87.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.643 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.616 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.819 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.449 ' CD1' HD12 ' B' ' 582' ' ' ILE . 3.1 m-85 -59.95 -51.0 71.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.647 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 5.9 m-85 -65.46 -34.29 77.93 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.851 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.582 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 29.4 tp10 -61.31 -50.9 71.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.177 0.513 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' B' ' 633' ' ' PHE . . . -65.57 -37.92 88.06 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.698 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.65 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.0 OUTLIER -60.97 -49.05 79.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.437 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.79 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 2.8 mm? -66.02 -46.59 77.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 68.8 m -61.61 -36.85 81.89 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.335 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' B' ' 629' ' ' ALA . 0.6 OUTLIER -62.42 -46.38 88.85 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.38 179.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.92 -39.42 89.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.751 ' HD2' HD13 ' B' ' 549' ' ' LEU . 3.5 mmt85 -61.03 -44.4 97.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.059 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' B' ' 567' ' ' SER . 52.0 mt -62.78 -46.6 95.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.923 0.392 . . . . 0.0 110.506 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.436 HE22 HG21 ' B' ' 603' ' ' ILE . 8.2 tt0 -57.79 -46.83 84.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.315 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -38.38 82.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.47 -24.03 64.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.192 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 22.6 mtt -63.44 -36.58 84.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.267 0.556 . . . . 0.0 109.627 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -95.71 -11.17 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.333 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' B' ' 543' ' ' THR . 2.4 tp -73.2 122.18 87.0 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.885 -1.052 . . . . 0.0 112.637 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 3.9 Cg_exo -76.1 -83.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.023 2.482 . . . . 0.0 110.881 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.405 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.567 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.082 0.468 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -90.36 -178.08 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.258 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.523 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.4 OUTLIER -145.4 160.12 42.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.808 -178.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.99 152.37 31.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.425 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.64 ' HE2' HD21 ' A' ' 631' ' ' LEU . 39.3 m-85 -114.38 137.12 52.23 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.59 131.9 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.132 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 116.24 20.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.906 0.384 . . . . 0.0 110.53 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.773 HD13 ' HE1' ' B' ' 542' ' ' TYR . 21.6 tp -102.02 142.19 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.856 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.76 122.16 34.06 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.062 0.458 . . . . 0.0 110.176 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -115.7 132.56 56.6 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.012 -178.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 96.5 p -81.17 155.96 25.93 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.64 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -57.9 -28.04 63.87 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.026 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.26 -47.23 62.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -82.67 -28.31 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.346 179.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.54 ' HD1' ' HB3' ' A' ' 537' ' ' LEU . 52.6 t80 -52.96 -50.81 63.32 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.771 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.662 ' HA ' HD21 ' A' ' 642' ' ' LEU . 2.3 p -67.73 -34.78 77.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.282 0.563 . . . . 0.0 110.959 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . 0.655 ' HD2' ' HZ ' ' B' ' 548' ' ' PHE . 0.1 OUTLIER -64.62 -44.73 89.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.529 HG22 ' HE2' ' B' ' 548' ' ' PHE . 48.8 t -71.4 -42.07 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.827 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.6 t -60.69 -49.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -68.59 -32.06 71.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.76 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.6 t80 -63.44 -49.58 73.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.217 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -71.38 -27.17 63.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.176 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.89 74.63 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.4 mmt-85 -65.4 -43.65 89.96 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.398 0.618 . . . . 0.0 109.346 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -67.86 -37.21 81.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.262 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -76.73 -23.85 53.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -73.45 -28.39 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 110.478 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 556' ' ' PRO . 70.7 t -105.7 144.53 29.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.481 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 6.9 Cg_endo -53.67 125.99 20.4 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.361 1.374 . . . . 0.0 109.921 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 557' ' ' ARG . 2.2 ttt-85 -117.97 -6.58 10.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . 0.49 ' HB2' HG12 ' A' ' 561' ' ' VAL . 88.7 m-85 -139.47 160.68 39.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.78 0.324 . . . . 0.0 110.317 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.53 17.45 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.797 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.417 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 2.0 p-90 -87.39 -24.6 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 558' ' ' TYR . 7.1 p -121.93 122.5 27.69 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.45 0.643 . . . . 0.0 111.281 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.35 91.95 0.88 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.871 2.381 . . . . 0.0 112.082 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 556' ' ' PRO . 0.8 OUTLIER -69.61 -22.26 63.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.251 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.659 ' HB3' ' HD3' ' A' ' 556' ' ' PRO . 16.3 pm0 -59.22 -43.05 92.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.313 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.5 p -75.38 -29.6 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.102 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.772 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.95 -40.77 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.148 -179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.451 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.42 -13.78 61.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.404 0.621 . . . . 0.0 110.347 179.311 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -89.1 -13.76 37.82 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 566' ' ' VAL . 22.0 mt -80.46 143.91 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.496 0.665 . . . . 0.0 111.425 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -103.87 120.17 52.16 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.566 ' HD2' HD13 ' A' ' 570' ' ' LEU . 19.4 Cg_endo -60.58 -4.1 3.13 Favored 'Trans proline' 0 N--CA 1.47 0.145 0 C-N-CA 122.779 2.319 . . . . 0.0 111.875 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.487 ' HA ' ' HB3' ' A' ' 599' ' ' MET . 51.1 p -80.88 -14.77 57.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.881 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.7 OUTLIER -94.67 3.1 55.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.817 178.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 102.06 -144.43 16.29 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -125.41 -7.45 6.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.742 0.305 . . . . 0.0 110.388 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -35.5 65.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.269 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.568 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.34 -39.69 81.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -64.12 -42.01 97.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.472 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.54 -41.69 98.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.969 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.5 m -61.07 -41.18 96.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.567 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.43 -40.01 74.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.934 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.3 pt -94.96 5.29 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.916 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.79 41.37 6.94 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.632 0.729 . . . . 0.0 110.396 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.532 ' CB ' HD12 ' A' ' 579' ' ' LEU . . . -90.5 45.43 1.26 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.8 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 586' ' ' HIS . . . -60.93 127.76 43.6 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.24 -0.981 . . . . 0.0 111.338 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 585' ' ' GLY . 55.7 t-80 86.96 -23.73 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.066 0.947 . . . . 0.0 112.032 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.437 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 0.9 OUTLIER -66.39 -24.35 66.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.458 0.647 . . . . 0.0 109.533 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.512 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -59.27 -25.01 63.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.211 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.462 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.23 -33.84 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.462 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.81 -38.81 92.5 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 74.2 m-85 -68.33 -43.39 77.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.314 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.66 -37.78 73.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.368 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.63 91.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.332 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.591 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.8 t-20 -83.59 -11.23 57.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.42 16.82 48.29 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.143 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.5 mt -96.95 92.06 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.776 0.322 . . . . 0.0 111.021 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.1 25.89 0.89 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.174 0.511 . . . . 0.0 110.151 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.15 172.49 12.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.092 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.487 ' HB3' ' HA ' ' A' ' 572' ' ' THR . 7.0 ptp -79.86 147.29 31.79 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.241 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.46 -44.69 3.24 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.39 -48.53 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.155 0.582 . . . . 0.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 2.4 ttt -58.39 -47.36 84.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.673 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.508 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 1.3 mp -68.42 -40.77 82.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -44.76 95.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.39 -34.11 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.111 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.628 ' HA ' HD11 ' A' ' 612' ' ' ILE . 75.5 t80 -66.67 -37.24 84.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 0.0 110.404 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 51.0 mt-10 -62.7 -43.44 98.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.665 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -78.17 -41.17 35.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.867 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -126.78 131.58 51.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.621 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -92.03 -1.75 57.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.041 0.448 . . . . 0.0 110.104 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' ' 614' ' ' GLU . 17.6 p-10 -122.11 38.7 4.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.383 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.879 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.8 OUTLIER -55.91 -51.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.145 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.56 -38.25 83.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.693 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 611' ' ' ASP . 5.4 mt-10 -67.8 -37.25 81.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.752 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -42.88 79.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.559 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.591 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.5 pt -72.42 -26.18 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.16 33.33 2.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.846 -1.169 . . . . 0.0 114.172 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -66.91 145.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 622' ' ' LYS . 11.0 t70 -65.45 129.34 39.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.587 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -59.48 -37.85 79.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.533 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.95 28.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 112.108 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.626 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 7.7 mtpt -125.68 -5.7 6.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 14.4 tp -53.6 -44.77 69.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.729 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.23 95.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.14 -35.13 79.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.626 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -65.28 -44.7 87.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.717 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.115 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.01 -49.88 68.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.254 0.549 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.053 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.879 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.9 OUTLIER -63.62 -48.89 75.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.727 -179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.64 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.5 mm? -59.95 -44.35 94.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -60.53 -39.44 87.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.809 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.772 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.0 t80 -61.42 -43.99 97.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.623 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.85 -38.25 87.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 17.8 mmt180 -61.14 -45.62 93.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.149 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.9 mt -68.83 -45.55 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.706 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -46.66 82.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.111 -179.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.99 -35.46 78.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.327 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -65.6 -28.01 68.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.082 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.1 mtm -66.06 -34.98 79.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.44 0.638 . . . . 0.0 109.597 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.56 -6.08 41.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.157 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 543' ' ' THR . 2.3 tp -78.76 123.45 85.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.677 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.61 50.12 2.57 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.95 2.433 . . . . 0.0 111.764 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.616 ' HG3' ' HB ' ' A' ' 543' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.592 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.088 0.471 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.59 146.15 54.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.671 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.64 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.4 p90 -131.06 153.15 49.6 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.835 0.35 . . . . 0.0 111.018 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 1.3 m -74.02 129.32 37.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.554 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -88.3 149.27 23.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.332 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -136.97 143.4 42.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.966 0.413 . . . . 0.0 110.96 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.59 126.94 36.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.5 tp -107.25 148.28 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.55 119.79 31.1 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.2 mm? -121.63 120.81 35.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.209 -178.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.55 157.57 26.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 1.0 OUTLIER -53.1 -40.88 64.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 118.992 0.814 . . . . 0.0 112.444 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.83 90.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.822 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.54 -31.75 47.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 0.0 110.939 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.773 ' HE1' HD13 ' A' ' 535' ' ' LEU . 78.4 t80 -56.98 -51.67 68.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.735 -178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 1.058 HG22 ' HG ' ' B' ' 642' ' ' LEU . 4.5 p -63.84 -35.53 80.93 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.94 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -65.46 -44.72 86.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.501 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.414 HG21 HD11 ' B' ' 537' ' ' LEU . 54.5 t -71.34 -46.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.502 ' HB ' HD21 ' B' ' 642' ' ' LEU . 78.7 t -59.82 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.823 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.0 -37.08 85.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.655 ' HZ ' ' HD2' ' A' ' 544' ' ' LYS . 1.0 OUTLIER -58.63 -48.79 79.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.5 mt -71.52 -32.58 68.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.78 78.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 1.7 mmm-85 -63.99 -43.96 94.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -34.79 76.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.844 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.689 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.1 -31.24 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.651 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -72.96 -55.26 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.062 0.458 . . . . 0.0 109.825 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.458 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 2.5 t -100.31 110.12 58.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' B' ' 555' ' ' VAL . 2.9 Cg_endo -46.88 127.16 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.077 2.518 . . . . 0.0 113.355 -177.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.64 25.29 0.51 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.37 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -108.95 162.06 14.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.415 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . 0.519 ' HB ' ' CD1' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -64.85 -33.19 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.519 ' CD1' ' HB ' ' B' ' 559' ' ' THR . 1.5 p-90 -155.72 -167.77 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.199 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.506 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 0.9 OUTLIER 76.62 130.35 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.944 0.778 . . . . 0.0 110.874 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 4.3 Cg_exo -77.05 68.93 7.23 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.156 2.571 . . . . 0.0 111.541 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -35.08 80.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.657 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' B' ' 565' ' ' VAL . 1.6 pm0 -58.51 -50.11 74.93 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.497 ' H ' ' HG2' ' B' ' 564' ' ' GLN . 8.3 p -73.14 -29.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.849 0.356 . . . . 0.0 110.697 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.781 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.39 -40.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.438 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.526 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.576 . . . . 0.0 110.218 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -83.15 -15.29 51.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.96 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' B' ' 566' ' ' VAL . 56.1 mt -74.47 133.25 31.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.316 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -88.71 117.84 68.73 Favored Pre-proline 0 N--CA 1.436 -1.154 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.612 ' HD2' HD13 ' B' ' 570' ' ' LEU . 27.0 Cg_endo -62.0 7.36 0.13 Allowed 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 123.012 2.475 . . . . 0.0 113.144 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.9 p -89.15 -17.28 29.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.27 -25.01 39.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.432 0.634 . . . . 0.0 110.496 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 123.69 -125.05 5.75 Favored Glycine 0 N--CA 1.437 -1.297 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -131.69 -10.65 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.995 0.397 . . . . 0.0 111.495 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 0.2 OUTLIER -55.53 -39.48 70.58 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.496 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -63.46 -37.67 88.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 110.553 179.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.05 -41.81 94.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.31 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -42.29 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.49 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -60.96 -40.16 92.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.12 83.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.148 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -86.23 8.03 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.05 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.24 34.27 10.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.451 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -78.63 -68.26 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.193 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.2 -62.41 2.59 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -89.47 -16.58 30.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.9 OUTLIER -62.12 -24.86 67.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.555 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -58.23 -25.37 61.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.123 0.487 . . . . 0.0 110.375 179.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.44 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -61.41 -33.97 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.295 179.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.518 ' O ' ' HB ' ' B' ' 616' ' ' ILE . 0.7 OUTLIER -67.92 -37.99 82.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.637 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 80.1 m-85 -66.71 -39.12 87.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.597 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.53 -34.19 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.625 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.64 97.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.372 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.846 ' HB2' HG22 ' B' ' 616' ' ' ILE . 24.3 t30 -83.11 -11.18 58.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.812 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 91.32 31.42 9.67 Favored Glycine 0 CA--C 1.508 -0.372 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.009 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.637 ' HB ' ' HB3' ' B' ' 591' ' ' PHE . 2.7 mt -109.64 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 120.756 0.312 . . . . 0.0 111.341 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -154.92 13.02 0.39 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.923 0.392 . . . . 0.0 110.863 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.19 173.15 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.94 145.51 31.22 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.259 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.5 -38.18 2.46 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.315 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' B' ' 604' ' ' ARG . 4.8 t70 -62.31 -44.19 97.07 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.683 0.393 . . . . 0.0 111.639 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.41 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -62.16 -41.69 98.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 0.0 110.427 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.41 HD12 ' SD ' ' B' ' 602' ' ' MET . 1.1 mp -68.46 -40.0 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -62.1 -41.15 97.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.419 179.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.97 -35.67 78.76 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.217 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.572 ' HA ' HD11 ' B' ' 612' ' ' ILE . 27.7 t80 -68.75 -37.67 79.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 0.0 110.352 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.2 -45.29 88.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.246 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.73 -38.2 33.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.712 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -119.9 128.42 53.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.734 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.96 3.59 44.43 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.07 22.18 11.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.23 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.798 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -49.44 -58.96 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.045 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.61 -41.56 81.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.765 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.13 81.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.274 0.559 . . . . 0.0 110.572 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -66.55 -42.13 87.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.39 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' B' ' 594' ' ' ASN . 45.7 pt -71.9 -24.02 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.39 21.96 5.32 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.094 -1.05 . . . . 0.0 114.306 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.428 ' CG1' HD11 ' B' ' 616' ' ' ILE . 14.7 mm -66.14 144.47 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.85 124.98 23.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.792 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.8 OUTLIER -57.97 -29.17 65.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.345 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -11.28 60.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.913 0.387 . . . . 0.0 111.314 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -117.07 -7.27 11.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 0.0 110.146 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.5 tp -54.05 -44.41 71.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.636 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -47.89 83.69 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.233 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.422 ' HA ' ' CZ3' ' B' ' 560' ' ' TRP . 1.7 tttt -67.88 -38.42 83.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.405 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 3.1 m-85 -65.24 -48.3 73.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.862 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.66 -32.7 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.28 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.38 -51.23 70.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.588 . . . . 0.0 109.415 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.01 81.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.708 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.798 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.5 t80 -60.25 -49.93 75.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.169 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.4 mm? -62.87 -45.09 94.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.866 0.365 . . . . 0.0 110.519 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 17.5 m -63.89 -37.61 88.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.785 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.781 ' HD1' HG13 ' B' ' 566' ' ' VAL . 35.0 t80 -60.92 -42.6 98.43 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . 0.402 ' HE1' HG23 ' B' ' 603' ' ' ILE . 91.2 t80 -60.4 -41.44 93.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 23.8 mmt180 -61.79 -45.58 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.689 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.0 mt -62.12 -47.9 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.666 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.496 ' HB3' HE21 ' B' ' 637' ' ' GLN . 0.0 OUTLIER -57.66 -45.43 85.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.327 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.598 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -71.06 -35.54 71.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.975 -179.533 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.742 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.23 -25.35 65.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.568 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.9 mmt -66.24 -41.15 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.378 0.608 . . . . 0.0 110.067 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -6.28 39.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.76 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 1.058 ' HG ' HG22 ' B' ' 543' ' ' THR . 7.0 tp -54.53 116.46 10.91 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.154 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -81.42 72.09 6.57 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.814 2.342 . . . . 0.0 111.664 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.262 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 121.5 0.667 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.56 137.04 41.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.091 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.626 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 2.0 p90 -115.08 147.93 39.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.165 0.507 . . . . 0.0 111.152 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.72 138.38 44.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.601 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.47 ' HE2' HD21 ' A' ' 631' ' ' LEU . 26.1 m-85 -101.06 132.52 46.45 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.316 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -115.19 126.26 54.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . 0.706 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -84.72 98.06 10.02 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.181 0.515 . . . . 0.0 110.369 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.44 145.94 27.89 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.185 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.16 120.11 31.83 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.1 mm? -119.4 126.76 52.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 156.1 39.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -33.03 64.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 118.555 0.616 . . . . 0.0 112.498 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.43 66.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.89 -30.7 35.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.133 0.492 . . . . 0.0 111.671 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.637 ' CE1' HD13 ' B' ' 535' ' ' LEU . 72.4 t80 -55.04 -45.78 75.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.249 -178.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.2 p -67.33 -33.1 74.55 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.899 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -44.68 83.91 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.045 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.79 -43.2 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.944 0.402 . . . . 0.0 111.473 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' TYR . 45.0 t -60.08 -50.13 81.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.74 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -64.33 -39.06 93.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.406 -179.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.553 ' HE2' HG22 ' B' ' 545' ' ' VAL . 4.7 t80 -58.49 -51.32 70.34 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.62 0.575 . . . . 0.0 111.295 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.576 ' HB3' ' NE ' ' A' ' 635' ' ' ARG . 19.8 mt -71.69 -26.22 62.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.786 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.03 -33.89 75.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.7 mmt85 -63.24 -48.69 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.414 0.626 . . . . 0.0 110.181 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.12 -34.35 76.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.453 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.515 ' HB2' HH21 ' A' ' 635' ' ' ARG . . . -78.28 -17.79 56.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -82.82 -33.46 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.08 155.69 46.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.27 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -59.04 127.84 25.67 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.34 1.36 . . . . 0.0 108.649 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.51 -27.33 0.06 Allowed 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -85.3 160.08 19.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.819 0.342 . . . . 0.0 110.531 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.3 m -68.63 -42.55 77.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.749 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.536 ' O ' ' HB ' ' A' ' 561' ' ' VAL . 15.1 p-90 -135.8 178.12 7.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.935 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.0 OUTLIER 80.72 121.05 0.03 OUTLIER Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 109.966 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 15.6 Cg_exo -68.63 84.24 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.24 2.627 . . . . 0.0 111.822 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -45.85 20.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.074 -178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.92 -49.99 73.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 569' ' ' ILE . 8.6 p -65.83 -31.8 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.681 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.83 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.91 -42.24 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.178 -179.539 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.641 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -73.53 -14.86 61.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.281 0.562 . . . . 0.0 110.283 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.38 -16.56 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.4 mt -74.58 133.27 31.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.966 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.815 HD12 ' HD2' ' A' ' 571' ' ' PRO . 4.7 tp -89.03 115.52 63.84 Favored Pre-proline 0 N--CA 1.437 -1.097 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.815 ' HD2' HD12 ' A' ' 570' ' ' LEU . 18.6 Cg_endo -59.06 -1.68 0.93 Allowed 'Trans proline' 0 CA--C 1.522 -0.111 0 C-N-CA 123.018 2.478 . . . . 0.0 112.832 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 570' ' ' LEU . 63.4 p -79.5 -17.04 54.98 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.59 -15.59 54.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.773 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 110.21 -122.08 6.19 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.618 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -129.58 -4.0 4.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.679 0.276 . . . . 0.0 110.53 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.4 -42.85 74.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.342 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.756 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.57 -37.84 80.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.935 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -63.2 -47.42 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.207 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -63.18 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.234 0.54 . . . . 0.0 109.723 179.101 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.7 m -60.59 -39.1 86.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.322 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.43 -42.67 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.804 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.413 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 3.0 pt -94.48 9.09 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp 62.1 41.85 10.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.227 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.647 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.072 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.84 -15.64 58.22 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.115 -0.564 . . . . 0.0 114.254 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -110.01 -4.99 15.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.666 0.733 . . . . 0.0 111.672 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.572 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.8 m-20 -74.76 -23.67 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.12 -25.65 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.17 -33.51 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 121.487 0.661 . . . . 0.0 109.659 178.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' A' ' 589' ' ' VAL . 0.6 OUTLIER -71.99 -40.23 68.71 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.068 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 84.5 m-85 -67.46 -41.95 83.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.958 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -58.45 -36.09 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.45 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.15 93.75 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.154 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.773 ' HB2' HG22 ' A' ' 616' ' ' ILE . 30.6 t30 -85.51 -9.91 56.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.811 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.56 25.65 27.34 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.292 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.618 HG22 ' CD2' ' A' ' 575' ' ' LEU . 4.4 mt -100.94 103.13 14.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.792 0.329 . . . . 0.0 111.291 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.64 17.61 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.72 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.39 171.75 10.19 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -80.67 133.97 35.79 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.427 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 85.25 -29.19 4.4 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.561 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -45.75 91.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -39.52 92.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.563 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -42.27 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 0.0 109.98 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -62.63 -40.47 97.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 6.3 mm-40 -67.57 -33.81 75.78 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.9 t80 -66.92 -40.16 87.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.996 0.427 . . . . 0.0 109.976 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.93 -49.8 48.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.51 -17.15 56.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.3 m-70 -123.61 -62.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 80.84 -30.25 0.12 Allowed 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.01 0.819 . . . . 0.0 110.139 -178.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -101.1 25.75 7.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.695 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -52.15 -59.75 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.698 -179.092 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 616' ' ' ILE . 3.0 m-85 -57.19 -38.42 73.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.235 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 623' ' ' LEU . 0.7 OUTLIER -66.95 -43.21 83.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.285 0.564 . . . . 0.0 110.574 179.275 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 15.6 ttm-85 -70.05 -42.93 72.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.957 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.773 HG22 ' HB2' ' A' ' 594' ' ' ASN . 48.3 pt -66.43 -26.64 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.656 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.81 25.78 4.11 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 119.866 -1.159 . . . . 0.0 114.589 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.8 142.75 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.763 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 26.4 t70 -65.16 133.53 51.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.286 0.565 . . . . 0.0 111.602 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.525 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.85 -29.07 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.294 -178.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.74 -6.87 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.0 0.429 . . . . 0.0 111.123 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.763 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 12.7 mtpt -121.52 -6.83 9.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.96 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -53.97 -45.59 71.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -44.87 96.33 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.437 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -68.86 -36.9 78.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.496 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.7 m-85 -69.47 -47.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.26 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.68 -32.22 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.684 0.278 . . . . 0.0 111.281 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 561' ' ' VAL . 1.3 tp10 -64.6 -49.58 70.56 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.025 0.441 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.89 80.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.831 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.18 -48.09 83.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.62 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 0.3 OUTLIER -59.02 -44.59 91.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.071 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.512 ' HB3' ' HB1' ' A' ' 553' ' ' ALA . 20.2 m -58.56 -41.75 86.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.201 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.771 ' HD1' HG13 ' A' ' 566' ' ' VAL . 3.6 t80 -61.93 -46.34 89.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.406 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.96 -39.36 94.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.9 mtp180 -59.72 -45.5 91.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.748 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 567' ' ' SER . 13.5 mt -70.17 -44.23 78.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.69 -39.79 77.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.169 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . 0.464 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 2.8 tp10 -71.64 -38.11 70.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.573 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.33 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.093 0.473 . . . . 0.0 111.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 5.0 mtt -67.08 -38.39 85.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.486 0.66 . . . . 0.0 110.164 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -5.24 44.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.956 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -62.63 133.21 94.8 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.113 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.23 -1.49 11.59 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.6 2.2 . . . . 0.0 111.387 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.386 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.551 0.691 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -140.68 158.9 43.3 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.15 149.9 34.85 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.754 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.69 137.82 33.59 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.206 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -88.02 130.12 35.07 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -116.26 131.01 57.06 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.31 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 122.16 26.24 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.637 HD13 ' CE1' ' A' ' 542' ' ' TYR . 12.5 tp -112.49 134.49 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.62 120.88 32.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.247 0.546 . . . . 0.0 110.935 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.409 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -120.41 134.18 55.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.761 -179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.0 OUTLIER -76.27 154.82 34.86 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.626 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -56.97 -40.41 76.43 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.057 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.42 84.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.494 ' O ' HG23 ' B' ' 545' ' ' VAL . 13.4 mm-40 -81.43 -31.19 33.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.007 0.432 . . . . 0.0 111.61 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 546' ' ' VAL . 84.9 t80 -56.43 -51.57 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.052 -177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.766 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.4 p -61.87 -33.89 75.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.013 0.435 . . . . 0.0 111.479 -178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -44.97 75.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.553 HG22 ' HE2' ' A' ' 548' ' ' PHE . 29.9 t -71.92 -42.79 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.568 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.4 t -59.66 -50.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.783 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.62 -37.34 87.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.233 -179.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.508 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.1 t80 -59.35 -48.31 82.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.14 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.942 ' HB3' ' HD3' ' B' ' 635' ' ' ARG . 21.1 mt -71.39 -30.22 65.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.207 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.41 80.25 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.9 mmt180 -68.49 -40.19 81.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.662 178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.2 -35.74 81.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.01 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -78.67 -26.05 44.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.618 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 636' ' ' ILE . 43.6 mttt -79.22 -38.79 34.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.461 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.93 156.71 34.83 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -70.7 125.14 11.35 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 N-CA-C 108.845 -1.252 . . . . 0.0 108.845 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 25.14 0.51 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.699 0.761 . . . . 0.0 110.382 -178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' B' ' 560' ' ' TRP . 47.7 m-85 -137.53 139.81 40.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.673 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -4.26 47.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.586 0.708 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.47 ' O ' ' HB ' ' B' ' 561' ' ' VAL . 26.3 p-90 -149.98 160.87 43.28 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.47 ' HB ' ' O ' ' B' ' 560' ' ' TRP . 1.0 OUTLIER 74.88 117.02 0.03 OUTLIER Pre-proline 0 C--O 1.238 0.472 0 CA-C-O 121.307 0.575 . . . . 0.0 110.253 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.524 ' HB2' HG12 ' B' ' 565' ' ' VAL . 12.9 Cg_exo -71.15 81.3 1.18 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.179 2.586 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.42 80.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.919 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.51 85.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 569' ' ' ILE . 8.6 p -71.64 -32.91 47.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.01 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.732 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -65.55 -41.57 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.467 -179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' B' ' 636' ' ' ILE . 0.3 OUTLIER -72.14 -21.9 61.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.443 0.639 . . . . 0.0 109.896 179.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -79.45 -15.16 58.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.036 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' B' ' 566' ' ' VAL . 69.5 mt -74.5 140.43 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.298 0.571 . . . . 0.0 111.289 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -98.5 117.54 64.53 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 176.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.632 ' O ' ' HB2' ' B' ' 599' ' ' MET . 27.8 Cg_endo -61.83 -2.9 3.14 Favored 'Trans proline' 0 C--N 1.336 -0.106 0 C-N-CA 122.468 2.112 . . . . 0.0 111.998 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.411 ' H ' ' C ' ' B' ' 570' ' ' LEU . 70.2 p -80.32 -14.42 58.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.045 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.4 OUTLIER -92.34 -1.89 56.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.081 179.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 107.08 -144.1 15.87 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -121.01 -8.4 9.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.654 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.12 71.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.719 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.38 -38.33 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.355 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -66.83 -42.63 85.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.649 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.78 -42.68 90.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.784 179.049 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 25.1 m -61.07 -38.87 87.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.316 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -55.82 -39.04 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.733 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 17.6 pt -99.21 6.77 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.47 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.29 43.06 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.92 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.557 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -95.05 47.55 1.15 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.995 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.41 63.29 2.61 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.561 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -178.36 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 0.0 109.208 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.432 ' HA ' ' CD2' ' B' ' 590' ' ' LEU . 2.3 m-20 -68.1 -23.65 64.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.096 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.43 -25.42 62.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.593 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.459 HG12 HD22 ' B' ' 590' ' ' LEU . 0.4 OUTLIER -64.69 -34.02 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.328 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.459 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -63.01 -36.93 85.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.485 0.66 . . . . 0.0 109.618 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' B' ' 618' ' ' ILE . 78.7 m-85 -67.61 -44.04 79.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.373 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.12 -36.92 76.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.014 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.11 97.95 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.796 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.541 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.4 t30 -81.48 -13.15 58.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.01 15.14 55.03 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.94 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.6 mt -88.93 101.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.636 -0.282 . . . . 0.0 110.881 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.71 19.02 0.27 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.177 0.513 . . . . 0.0 109.966 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.8 171.31 8.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.584 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.632 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.83 133.05 35.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.307 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' B' ' 604' ' ' ARG . . . 87.2 -29.63 5.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.071 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.26 -43.95 98.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.569 0.223 . . . . 0.0 111.502 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -42.57 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.517 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.2 mp -69.12 -40.8 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.083 0.468 . . . . 0.0 110.135 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.554 ' HG3' ' HE3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -61.08 -42.08 97.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.389 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.547 ' HA ' ' OE1' ' B' ' 605' ' ' GLU . 1.1 mm-40 -68.04 -32.8 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.82 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.893 ' HA ' HD11 ' B' ' 612' ' ' ILE . 88.3 t80 -67.3 -38.91 85.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.078 0.466 . . . . 0.0 110.317 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.81 -42.36 61.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.554 ' HE3' ' HG3' ' B' ' 604' ' ' ARG . 3.4 mtmp? -77.3 -31.96 55.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.448 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 3.8 m-70 -117.28 -62.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -176.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 84.13 -23.04 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.378 1.049 . . . . 0.0 110.196 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -106.42 25.86 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.609 . . . . 0.0 109.813 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.893 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -52.79 -57.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.01 -42.32 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.866 0.365 . . . . 0.0 111.271 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.568 ' HG3' HD21 ' B' ' 623' ' ' LEU . 3.9 mt-10 -65.73 -37.46 86.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.317 0.58 . . . . 0.0 110.156 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -69.14 -43.11 75.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.807 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' B' ' 594' ' ' ASN . 47.9 pt -72.38 -21.66 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.91 27.92 4.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.856 -1.164 . . . . 0.0 113.732 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.3 mm -67.03 145.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.479 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 16.5 t0 -64.87 121.48 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.767 0.317 . . . . 0.0 111.046 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 3.1 m -60.44 -30.29 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.033 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.03 -14.62 63.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.846 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 27.9 mtpt -119.94 -1.93 10.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.705 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.568 HD21 ' HG3' ' B' ' 614' ' ' GLU . 0.5 OUTLIER -54.0 -44.42 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.775 -178.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.3 86.26 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.061 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.428 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -66.82 -38.84 87.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.357 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.7 m-85 -65.7 -50.83 63.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.38 -32.13 73.61 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.433 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.459 ' HB3' HG21 ' B' ' 561' ' ' VAL . 13.8 tp10 -62.33 -48.77 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.5 85.16 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.606 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.593 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -60.97 -47.65 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.102 178.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' B' ' 635' ' ' ARG . 0.6 OUTLIER -61.5 -40.83 96.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 39.0 m -57.65 -46.16 84.55 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.746 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.61 ' HD1' HG13 ' B' ' 566' ' ' VAL . 0.9 OUTLIER -61.61 -42.16 98.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.562 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -66.94 -37.99 85.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.942 ' HD3' ' HB3' ' B' ' 549' ' ' LEU . 39.8 mtt180 -58.26 -45.7 87.33 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.399 0.619 . . . . 0.0 109.799 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.445 HG23 ' HE3' ' B' ' 554' ' ' LYS . 10.0 mt -71.1 -47.03 63.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.571 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -44.0 93.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.726 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.4 tp10 -64.19 -35.11 79.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.717 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -66.8 -22.42 66.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.825 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.51 -33.37 74.02 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -89.59 -10.68 45.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.42 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.766 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.0 tp -73.43 126.21 90.14 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.649 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -87.87 -140.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.891 2.394 . . . . 0.0 110.777 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.484 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -89.24 -43.25 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.014 0.435 . . . . 0.0 110.483 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.64 ' HE1' ' HB3' ' B' ' 538' ' ' SER . 1.6 t80 -143.62 135.7 26.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.114 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.77 155.68 43.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.598 ' HE2' HD21 ' A' ' 631' ' ' LEU . 56.9 m-85 -121.14 152.16 39.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.862 0.363 . . . . 0.0 111.08 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.27 130.46 26.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.849 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.07 133.98 39.66 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.94 0.4 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.47 147.1 48.79 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . 0.623 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -91.21 122.02 33.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.192 0.52 . . . . 0.0 110.118 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -104.98 133.36 49.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.778 -178.261 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -71.7 158.29 36.4 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -50.87 70.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.0 78.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.114 0.483 . . . . 0.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -72.66 -30.35 64.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.688 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.643 ' HA ' HD12 ' A' ' 537' ' ' LEU . 53.6 t80 -56.22 -50.92 69.9 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.102 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 1.03 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.4 p -68.65 -34.22 75.34 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -65.34 -44.52 87.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.897 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.461 HG22 HD11 ' B' ' 549' ' ' LEU . 53.9 t -71.96 -44.65 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.805 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.0 t -59.77 -49.61 83.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.031 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -65.82 -32.75 74.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.95 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.568 ' HE2' HG22 ' B' ' 545' ' ' VAL . 0.8 OUTLIER -60.79 -47.3 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.039 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.6 mt -71.3 -27.99 63.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.055 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.6 80.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 7.8 mmt-85 -68.34 -36.47 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.56 -40.38 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.139 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.31 -20.05 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.169 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -83.87 -49.28 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 32.6 t -92.79 115.57 65.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.87 128.39 17.76 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.557 2.171 . . . . 0.0 112.72 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 40.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -117.76 161.64 19.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.428 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -113.22 -1.77 14.25 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 1.8 p -104.04 113.0 65.69 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.444 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.484 ' O ' HG12 ' A' ' 565' ' ' VAL . 4.5 Cg_endo -86.32 75.9 2.75 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.336 2.691 . . . . 0.0 110.805 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.1 OUTLIER -60.16 -22.54 63.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.491 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -55.81 -38.22 69.69 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.546 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.5 p -80.3 -28.2 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.473 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.691 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -68.76 -37.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 -179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.571 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.94 -14.83 61.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 109.829 178.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.57 -18.71 30.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.333 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.727 HG12 ' HD2' ' A' ' 577' ' ' ARG . 42.2 mt -76.52 141.99 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.367 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.687 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.8 OUTLIER -97.79 124.08 49.36 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.687 ' HD2' HD13 ' A' ' 570' ' ' LEU . 34.9 Cg_endo -67.9 19.19 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.578 2.185 . . . . 0.0 111.862 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 66.7 p -109.21 -14.31 14.51 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.806 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.68 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 1.1 mt-10 -86.84 -43.94 12.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.081 0.467 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 142.46 -166.33 26.49 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.601 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -94.36 -8.37 39.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.944 0.402 . . . . 0.0 110.099 179.445 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -44.53 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.205 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.727 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.1 -37.37 81.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.668 179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -62.04 -44.7 96.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.948 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -65.22 -39.97 93.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 50.4 m -61.32 -38.72 87.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.546 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -58.17 -33.56 69.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.269 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.1 6.99 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.302 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 43.82 4.34 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.203 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.794 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -115.17 45.75 1.58 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.936 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -60.63 -27.98 67.11 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.757 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -84.78 -27.13 27.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.041 0.448 . . . . 0.0 111.407 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 26.5 m-20 -74.32 -22.96 59.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.169 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.99 -25.2 60.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.441 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.83 -33.71 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.385 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.441 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -64.52 -35.57 81.39 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.532 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.633 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 57.1 m-85 -67.73 -41.65 83.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.708 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.57 -35.83 70.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.718 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.31 97.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.739 ' HB2' HG22 ' A' ' 616' ' ' ILE . 9.3 t30 -79.21 -13.3 59.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.7 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.92 11.57 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.671 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 2.0 mt -108.24 101.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.585 -0.308 . . . . 0.0 110.8 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.89 8.74 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.879 0.371 . . . . 0.0 110.803 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 172.62 6.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.437 0.637 . . . . 0.0 112.536 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.617 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.29 137.75 35.77 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.644 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.04 -19.55 7.67 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' ' 604' ' ' ARG . 2.2 t0 -60.43 -45.26 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.15 0.58 . . . . 0.0 110.676 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.403 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.67 -40.19 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.388 -179.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.403 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -68.52 -42.44 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 109.858 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -63.06 -41.59 99.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.652 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.61 -34.93 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.644 ' HA ' HD11 ' A' ' 612' ' ' ILE . 57.6 t80 -66.93 -38.62 86.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.469 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.93 -39.46 69.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -72.63 -36.43 68.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.774 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -120.04 -134.46 0.32 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.0 -29.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -99.09 28.99 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.754 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.644 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -55.22 -63.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.692 -178.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -57.67 -38.56 75.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.94 0.4 . . . . 0.0 111.352 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -45.3 80.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.867 0.365 . . . . 0.0 111.277 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -68.15 -40.34 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.623 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.739 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.9 pt -67.26 -25.46 33.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.613 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.89 24.82 4.44 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.145 -1.026 . . . . 0.0 114.29 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 591' ' ' PHE . 21.2 mm -66.34 145.85 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.3 t0 -65.12 124.41 22.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.675 0.274 . . . . 0.0 110.664 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.73 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.684 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.6 -15.97 62.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.205 0.526 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.545 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 17.2 mtpt -120.92 -4.27 9.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.441 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.73 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.3 tp -53.83 -44.19 70.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.767 -177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -43.5 94.92 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.224 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.582 ' HE2' ' HE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -67.82 -37.3 81.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.461 . . . . 0.0 110.884 -179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.582 ' HE1' ' HE2' ' A' ' 625' ' ' LYS . 2.1 m-30 -67.85 -48.03 67.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.223 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.12 -35.27 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.403 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -46.67 89.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 110.158 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.9 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.857 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -59.09 -49.99 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.947 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.598 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.0 mm? -66.02 -42.99 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 20.4 m -58.33 -46.24 86.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.663 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -40.54 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -59.48 -37.5 78.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.026 0.441 . . . . 0.0 110.605 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -40.88 74.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.571 HD13 ' HB3' ' A' ' 567' ' ' SER . 89.8 mt -59.58 -45.84 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.094 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.64 -40.65 79.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.866 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -73.46 -39.47 64.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.191 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.766 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.99 -25.36 67.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.682 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.1 mtt -67.05 -37.79 84.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.068 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -6.52 35.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.48 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 1.03 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -63.27 127.76 91.5 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.014 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -89.35 56.24 1.9 Allowed 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.293 2.662 . . . . 0.0 111.631 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.65 ' HG3' ' HB ' ' A' ' 543' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.564 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.457 0.17 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 69.78 -60.35 0.48 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.564 0.745 . . . . 0.0 112.96 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.01 130.34 54.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.388 0.613 . . . . 0.0 112.386 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 2.8 m -150.6 152.27 33.81 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.949 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.416 ' HE2' HD21 ' B' ' 631' ' ' LEU . 27.5 m-85 -104.91 147.16 28.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.6 0.714 . . . . 0.0 112.641 -178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -137.91 132.11 31.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.372 178.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . 0.623 HG23 HG23 ' A' ' 536' ' ' THR . 0.0 OUTLIER -73.68 115.23 12.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.604 0.716 . . . . 0.0 111.911 -178.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 13.4 tp -98.01 149.26 22.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.21 118.89 31.77 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.304 0.573 . . . . 0.0 111.053 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 141.59 51.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.64 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -89.68 158.34 17.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -45.25 94.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 119.173 0.897 . . . . 0.0 111.55 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.66 87.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.35 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.445 ' O ' HG23 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -77.29 -32.19 55.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.323 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.63 -50.33 72.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.851 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.566 HG22 ' HG ' ' B' ' 642' ' ' LEU . 26.1 p -61.8 -35.14 77.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.34 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -65.52 -44.58 86.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.568 HG22 ' HE2' ' A' ' 548' ' ' PHE . 39.7 t -70.31 -43.28 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.474 ' HB ' HD21 ' B' ' 642' ' ' LEU . 42.3 t -59.52 -49.73 82.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.41 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.204 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.618 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.1 t80 -59.17 -49.89 76.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.206 0.527 . . . . 0.0 110.418 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.618 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 5.6 mt -72.01 -28.18 63.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.26 -179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.54 -32.92 74.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.2 mmt180 -66.34 -48.37 70.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.059 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.4 -39.87 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.423 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -76.94 -19.45 57.35 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -88.95 -21.55 23.5 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.249 -0.282 . . . . 0.0 111.718 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' B' ' 556' ' ' PRO . 3.5 m -111.21 159.84 31.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.322 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' B' ' 555' ' ' VAL . 27.9 Cg_endo -65.66 128.18 19.51 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.589 1.526 . . . . 0.0 108.613 176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -163.51 -38.97 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.058 0.456 . . . . 0.0 111.079 -177.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -100.9 124.01 45.95 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.907 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.33 -44.74 10.01 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -69.24 -24.47 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.12 121.78 25.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.463 ' HB2' HG12 ' B' ' 565' ' ' VAL . 90.6 Cg_endo -79.3 72.81 6.32 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.84 2.36 . . . . 0.0 113.147 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -27.6 54.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.452 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.5 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -59.42 -44.96 92.77 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 -179.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.478 ' O ' HG13 ' B' ' 569' ' ' ILE . 12.7 p -74.69 -26.26 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.907 0.384 . . . . 0.0 110.122 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.805 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.0 OUTLIER -65.51 -41.27 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.934 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.666 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -71.53 -21.12 61.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.384 0.611 . . . . 0.0 109.846 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -79.92 -18.28 50.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.929 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 566' ' ' VAL . 60.2 mt -74.63 135.38 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.7 OUTLIER -86.43 117.1 68.13 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.67 ' O ' ' HB2' ' B' ' 599' ' ' MET . 41.5 Cg_endo -68.6 22.46 0.14 Allowed 'Trans proline' 0 C--N 1.336 -0.119 0 C-N-CA 122.821 2.347 . . . . 0.0 111.946 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.561 ' H ' ' C ' ' B' ' 570' ' ' LEU . 80.7 p -111.07 -7.87 14.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.84 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' B' ' 577' ' ' ARG . 0.0 OUTLIER -96.92 -34.08 11.37 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 143.01 -147.36 18.75 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.609 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -118.79 -1.57 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.754 0.311 . . . . 0.0 110.303 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' B' ' 577' ' ' ARG . 6.3 pt-20 -60.29 -39.67 87.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.274 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -67.03 -37.79 84.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.969 0.414 . . . . 0.0 110.083 178.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.88 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.818 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -42.84 91.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.831 178.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.3 m -60.2 -40.62 90.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.524 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.53 86.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.039 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' B' ' 626' ' ' TYR . 10.9 pt -91.81 8.0 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.867 -178.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 62.51 39.48 11.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -87.17 45.67 1.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.01 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.14 54.17 2.25 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.288 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -178.15 -37.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.404 0.621 . . . . 0.0 109.38 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.474 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 6.2 m-20 -66.85 -24.46 66.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.364 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.66 -26.4 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.864 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -61.7 -34.12 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.19 -36.94 84.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.933 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.508 ' CE1' HD11 ' B' ' 618' ' ' ILE . 86.6 m-85 -68.07 -44.69 75.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.539 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.205 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.86 88.88 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.805 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.425 ' HB3' HG13 ' B' ' 596' ' ' ILE . 6.8 t30 -83.65 -10.05 58.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.339 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.98 15.92 55.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.968 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 7.4 mt -96.68 84.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.614 -0.293 . . . . 0.0 110.85 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -131.83 11.19 4.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.992 0.425 . . . . 0.0 110.274 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.63 168.81 9.27 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.368 0.604 . . . . 0.0 112.074 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.67 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.06 137.33 34.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.972 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.34 -23.63 5.34 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.535 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -39.75 84.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.68 -43.08 94.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.476 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.436 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.9 mt -67.88 -41.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.421 ' HG2' ' HD2' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -60.42 -46.84 88.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.701 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.85 -33.35 75.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.156 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.934 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.5 t80 -63.36 -41.3 98.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.287 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.54 -43.36 90.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.633 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' B' ' 604' ' ' ARG . 0.0 OUTLIER -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.552 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 88.7 m-70 -119.06 -71.94 0.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 0.1 OUTLIER 103.31 -36.91 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.455 1.502 . . . . 0.0 110.587 -179.086 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.5 43.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.702 0.763 . . . . 0.0 109.093 178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -59.87 -51.96 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.906 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.478 ' HB2' ' CZ ' ' B' ' 627' ' ' TYR . 2.5 m-85 -57.93 -42.18 84.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -39.94 93.35 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.421 0.629 . . . . 0.0 110.214 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.55 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.956 -178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.07 -24.37 24.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.41 33.5 2.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.079 -1.058 . . . . 0.0 113.775 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.6 mm -66.75 145.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 117.206 0.503 . . . . 0.0 110.143 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.14 122.66 17.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.092 0.473 . . . . 0.0 110.526 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.647 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.2 m -65.26 -21.27 66.71 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -17.08 63.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.192 0.52 . . . . 0.0 111.069 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.717 ' HB3' ' HD3' ' B' ' 625' ' ' LYS . 0.1 OUTLIER -129.23 2.18 5.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.086 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -53.16 -44.16 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.045 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.09 83.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.319 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.717 ' HD3' ' HB3' ' B' ' 622' ' ' LYS . 0.0 OUTLIER -64.04 -34.26 77.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.562 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.6 m-85 -64.6 -51.16 64.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 21.6 m-85 -65.03 -33.27 75.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.239 -179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.73 -49.36 75.34 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.12 -39.05 86.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.009 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.663 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.8 OUTLIER -59.6 -49.88 76.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.379 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.416 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.3 OUTLIER -61.28 -44.15 97.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.501 . . . . 0.0 110.213 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.513 ' HA ' ' HE ' ' B' ' 635' ' ' ARG . 50.4 m -61.59 -42.98 99.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.51 96.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.01 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.53 -39.04 93.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH1' HD13 ' B' ' 549' ' ' LEU . 0.2 OUTLIER -65.46 -46.02 81.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.469 179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.666 HD13 ' HB3' ' B' ' 567' ' ' SER . 24.8 mt -60.32 -41.87 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.439 0.638 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -46.21 89.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.467 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -37.01 85.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.351 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.46 -26.58 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.243 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -37.16 84.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.419 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -5.4 50.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.392 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.2 tp -68.82 125.83 92.22 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.726 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.27 49.83 2.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.927 2.418 . . . . 0.0 111.656 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm . . . . . 0 C--O 1.248 1.006 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.15 -179.583 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.435 ' HB ' ' HG ' ' A' ' 624' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.506 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 623' ' ' LEU . 56.3 t30 -133.24 146.66 51.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.23 158.83 16.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.017 0.437 . . . . 0.0 109.953 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.84 146.04 33.91 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.01 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.528 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 22.0 m-85 -105.13 132.43 51.35 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.268 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.44 126.11 44.43 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.97 123.16 29.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.12 0.486 . . . . 0.0 110.698 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.52 HD13 ' HE1' ' B' ' 542' ' ' TYR . 12.2 tp -109.34 145.52 35.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.075 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.97 122.28 34.34 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.121 0.486 . . . . 0.0 109.916 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.452 ' CB ' ' HD1' ' A' ' 542' ' ' TYR . 1.6 mm? -118.35 130.11 55.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.436 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.457 ' HB2' ' CD1' ' B' ' 530' ' ' TYR . 95.8 p -75.86 157.16 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.65 -29.06 58.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.54 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.21 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.456 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -83.4 -30.05 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.712 179.371 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.55 ' CE1' HD13 ' B' ' 535' ' ' LEU . 62.1 t80 -54.2 -50.41 67.16 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.982 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.919 HG22 ' HG ' ' A' ' 642' ' ' LEU . 3.0 p -67.58 -33.76 75.67 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -65.84 -44.0 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.522 HG22 ' HE2' ' B' ' 548' ' ' PHE . 60.6 t -71.64 -43.74 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 111.827 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.5 t -60.4 -51.11 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.241 -178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.84 -33.16 75.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.4 t80 -60.63 -50.85 71.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' B' ' 544' ' ' LYS . 16.6 mt -70.79 -29.76 66.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.327 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.31 77.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.6 mmt85 -63.6 -46.07 87.45 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.381 0.61 . . . . 0.0 109.47 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.41 ' H ' ' HG2' ' A' ' 552' ' ' GLU . 2.4 mm-40 -69.04 -39.76 79.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -67.66 -22.91 65.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -73.12 -20.76 60.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.352 0.596 . . . . 0.0 110.631 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.73 159.79 37.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.337 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -75.22 123.93 8.12 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 N-CA-C 108.537 -1.37 . . . . 0.0 108.537 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 56.3 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.401 0.619 . . . . 0.0 110.675 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -132.73 162.13 32.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.163 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -58.59 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.0 OUTLIER -153.29 52.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.176 -179.253 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.9 p -158.94 121.21 1.93 Allowed Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.871 0.367 . . . . 0.0 111.032 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 5.2 Cg_exo -75.33 99.67 1.29 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.103 2.536 . . . . 0.0 111.374 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.71 -10.51 59.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.788 -178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -56.02 -50.62 70.39 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.723 HG13 ' HB1' ' A' ' 581' ' ' ALA . 10.6 p -70.06 -29.24 39.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.52 -40.12 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.608 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.536 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -72.26 -16.8 61.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.536 0.684 . . . . 0.0 109.906 179.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.33 -12.03 58.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.215 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.8 HG12 ' HD2' ' A' ' 577' ' ' ARG . 26.8 mt -83.4 134.92 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.696 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -90.31 117.15 67.8 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 177.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.696 ' HD2' HD13 ' A' ' 570' ' ' LEU . 56.2 Cg_endo -69.46 28.4 0.17 Allowed 'Trans proline' 0 N--CA 1.471 0.181 0 C-N-CA 123.026 2.484 . . . . 0.0 112.594 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 570' ' ' LEU . 67.3 p -110.45 -16.76 13.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.457 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.2 -36.16 14.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.981 0.42 . . . . 0.0 110.634 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 146.52 -144.43 12.72 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.029 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.545 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -116.1 -5.38 11.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.785 0.326 . . . . 0.0 110.523 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -44.48 81.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.537 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.8 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.86 -37.94 89.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.936 0.398 . . . . 0.0 110.548 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.466 ' HA ' HD13 ' A' ' 569' ' ' ILE . 51.3 t80 -62.3 -42.29 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.957 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -45.42 86.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.944 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 29.7 m -60.52 -37.89 82.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 110.652 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.723 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -59.88 -40.71 89.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 626' ' ' TYR . 18.3 pt -96.87 9.56 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.0 mttm 65.85 40.24 4.31 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.326 0.584 . . . . 0.0 111.288 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -99.26 47.74 0.96 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.248 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.65 52.83 3.2 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.833 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.02 -32.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 109.824 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.587 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 5.1 m-20 -68.28 -23.24 64.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.979 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -57.77 -25.76 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.508 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.21 -33.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.349 0.595 . . . . 0.0 110.127 179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.508 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.35 -37.91 86.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.996 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 596' ' ' ILE . 73.6 m-85 -67.53 -42.67 82.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.41 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -56.35 -40.31 74.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.286 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.85 98.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.631 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.588 ' HB2' HG22 ' A' ' 616' ' ' ILE . 6.5 t30 -82.22 -10.75 59.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.2 17.32 53.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.027 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.545 HG22 ' CD2' ' A' ' 575' ' ' LEU . 7.9 mt -95.58 87.35 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 120.746 0.308 . . . . 0.0 110.789 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.01 15.26 3.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.923 0.392 . . . . 0.0 110.634 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 167.99 11.03 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.434 0.635 . . . . 0.0 112.127 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.681 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.21 133.68 35.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.584 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.63 -29.56 6.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.997 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -37.19 83.87 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 120.673 0.273 . . . . 0.0 110.749 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.47 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.927 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.411 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.2 mp -69.68 -43.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 109.716 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.43 -46.55 89.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 4.6 mm-40 -65.97 -33.83 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.757 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.784 ' HA ' HD11 ' A' ' 612' ' ' ILE . 8.0 t80 -64.88 -42.1 95.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.451 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -75.32 -37.29 60.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.091 0.472 . . . . 0.0 110.615 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -78.17 -32.04 49.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 25.7 m-70 -110.63 -53.29 2.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.01 -32.2 0.1 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.931 0.893 . . . . 0.0 111.147 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -108.7 31.54 5.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 110.161 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.2 OUTLIER -52.58 -58.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.864 -178.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -57.97 -41.02 82.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.537 -178.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.97 -35.51 78.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.474 0.654 . . . . 0.0 110.041 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -69.82 -43.06 72.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.443 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.8 pt -72.73 -26.5 23.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.476 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.37 34.29 2.33 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.056 -1.068 . . . . 0.0 114.098 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.18 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 117.041 0.421 . . . . 0.0 110.12 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -64.27 121.0 13.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.325 0.583 . . . . 0.0 110.506 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.8 OUTLIER -58.73 -31.88 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.031 -0.986 . . . . 0.0 113.22 -178.401 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -17.41 58.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.474 ' HB3' ' HE2' ' A' ' 625' ' ' LYS . 6.6 mtmm -132.63 3.36 3.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.948 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 3.4 tp -53.33 -44.19 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.435 ' HG ' ' HB ' ' A' ' 528' ' ' THR . 0.9 OUTLIER -59.64 -45.13 92.9 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.72 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -62.25 -36.41 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-30 -67.64 -46.09 73.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.489 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -64.62 -38.92 92.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.453 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -47.49 85.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.853 0.359 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.27 77.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.97 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -56.63 -44.73 81.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.819 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.528 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 1.9 mm? -63.5 -44.87 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.013 0.435 . . . . 0.0 111.561 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.36 -39.55 94.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.501 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 6.2 t80 -60.16 -46.65 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.501 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -37.89 89.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.932 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.4 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.417 -179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.5 mt -63.15 -48.31 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.626 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.547 ' HG2' ' HE2' ' A' ' 641' ' ' LYS . 6.2 tt0 -58.65 -45.35 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.62 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -64.8 -37.5 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -66.42 -29.78 70.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.522 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.0 mmt -71.43 -32.13 68.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.317 0.58 . . . . 0.0 109.873 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . 0.547 ' HE2' ' HG2' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.79 -6.0 40.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.507 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.919 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.03 138.61 97.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.959 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.55 134.18 10.96 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.539 2.16 . . . . 0.0 110.961 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.499 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.543 0.687 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -103.88 154.98 19.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.456 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.469 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.3 OUTLIER -108.4 126.46 52.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 143.58 57.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.166 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.785 ' HZ ' HD21 ' B' ' 631' ' ' LEU . 17.9 m-85 -87.93 145.99 25.76 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.068 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -126.25 142.21 51.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.504 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.41 123.28 31.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.082 0.468 . . . . 0.0 111.786 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 542' ' ' TYR . 13.7 tp -110.5 142.37 42.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.531 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 120.45 32.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.489 HD11 HG21 ' B' ' 545' ' ' VAL . 0.7 OUTLIER -122.2 124.08 42.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.04 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.87 157.16 22.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.47 48.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.49 74.95 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.45 -30.28 42.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.118 0.485 . . . . 0.0 111.256 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.52 ' HE1' HD13 ' A' ' 535' ' ' LEU . 75.3 t80 -56.6 -51.48 68.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.292 -177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.743 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.7 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 0.0 111.137 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . 0.593 ' HD3' HD21 ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.88 -42.5 90.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.498 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.489 HG21 HD11 ' B' ' 537' ' ' LEU . 41.4 t -70.48 -44.63 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.7 t -60.3 -50.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.627 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.76 -37.02 85.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.897 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.6 -50.86 71.76 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.366 0.416 . . . . 0.0 111.286 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -69.44 -31.26 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -67.45 -32.76 73.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.695 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.758 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 22.1 mmt85 -66.71 -44.84 80.58 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.713 0.292 . . . . 0.0 110.528 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.48 -32.22 72.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.356 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.83 -29.65 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.129 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 14.8 mtmt -76.61 -62.26 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.141 0.496 . . . . 0.0 109.848 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 73.2 t -89.96 122.23 68.03 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -45.07 124.96 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.664 2.242 . . . . 0.0 113.149 -177.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -142.08 14.84 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.73 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -120.1 160.49 22.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.689 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.34 -40.26 4.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -103.19 -0.47 30.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.4 p -131.64 117.08 16.29 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 121.074 0.464 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.12 85.87 1.34 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.879 2.386 . . . . 0.0 112.048 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -20.13 34.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 7.7 pm0 -59.22 -33.53 71.1 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.906 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.563 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.3 p -81.11 -28.05 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.433 . . . . 0.0 110.207 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.803 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.89 -39.58 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.062 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.493 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.2 OUTLIER -73.79 -13.74 60.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.383 0.611 . . . . 0.0 110.302 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.45 -14.71 51.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.013 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.548 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 8.2 mt -83.54 141.35 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.051 0.453 . . . . 0.0 111.478 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.57 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -91.08 119.12 68.88 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 176.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' B' ' 599' ' ' MET . 54.7 Cg_endo -68.5 24.97 0.14 Allowed 'Trans proline' 0 N--CA 1.473 0.284 0 C-N-CA 123.123 2.549 . . . . 0.0 112.625 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.501 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.4 p -109.13 -10.92 14.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.96 -48.11 6.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.62 -143.47 9.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.6 -5.45 9.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.786 0.293 . . . . 0.0 111.058 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -43.06 75.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.996 0.427 . . . . 0.0 111.357 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.465 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -66.65 -37.16 84.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.13 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -64.72 -44.77 89.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.789 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -64.07 -42.24 97.04 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.6 m -61.4 -37.89 85.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.073 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.563 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.91 -40.07 72.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.797 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 16.1 pt -99.17 8.79 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.363 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.05 43.75 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.703 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.728 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -103.15 41.38 1.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.904 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.35 68.02 1.8 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.569 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -178.2 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.684 0.754 . . . . 0.0 109.221 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.08 -21.66 59.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.923 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.593 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.59 -25.87 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.842 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.483 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -60.16 -33.88 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 121.221 0.534 . . . . 0.0 110.16 179.38 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.483 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.35 -38.93 92.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.268 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.593 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 80.0 m-85 -68.8 -44.08 74.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.296 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.94 -39.81 78.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.14 86.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.132 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.44 ' HB3' HG13 ' B' ' 596' ' ' ILE . 3.8 t30 -83.06 -13.67 55.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.934 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.3 43.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.028 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.533 HG22 ' CD2' ' B' ' 575' ' ' LEU . 8.7 mt -97.32 107.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -167.7 25.99 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.318 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.12 171.4 10.88 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.458 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.659 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.91 132.82 35.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.594 179.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.23 -32.62 2.52 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -46.0 90.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.066 0.546 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.73 91.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -39.66 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' B' ' 605' ' ' GLU . 0.1 OUTLIER -62.67 -41.13 98.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.636 179.159 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' B' ' 604' ' ' ARG . 0.5 OUTLIER -66.47 -35.48 80.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.739 ' HA ' HD11 ' B' ' 612' ' ' ILE . 21.7 t80 -66.22 -38.59 88.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.28 -38.91 71.8 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.447 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -78.37 -39.83 38.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.0 113.083 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -103.47 -38.72 7.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 74.5 -49.55 0.67 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.024 0.53 . . . . 0.0 111.499 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.57 45.65 0.96 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.965 0.888 . . . . 0.0 108.897 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.832 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.3 OUTLIER -57.16 -54.93 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.69 -179.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.428 ' CE1' ' HE2' ' B' ' 591' ' ' PHE . 2.6 m-85 -57.54 -37.41 73.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 110.277 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -41.45 92.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -42.96 72.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.524 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 48.8 pt -70.33 -21.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 108.43 30.27 3.89 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.941 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' B' ' 591' ' ' PHE . 18.9 mm -66.13 146.61 13.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -63.67 120.65 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.113 0.482 . . . . 0.0 110.058 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.4 OUTLIER -54.64 -37.29 65.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.26 -0.882 . . . . 0.0 113.029 -178.258 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.17 -13.25 47.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 111.817 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 15.5 mtpt -125.15 -1.56 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.73 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 14.4 tp -54.64 -45.49 73.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.754 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.32 -42.65 99.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.631 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.513 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 2.6 tttt -65.64 -36.74 84.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.513 ' HD1' ' HG2' ' B' ' 625' ' ' LYS . 2.8 m-30 -68.89 -45.91 69.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -62.4 -36.5 82.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.74 -49.89 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.371 0.605 . . . . 0.0 109.759 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.19 -41.97 80.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.619 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.832 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.4 t80 -57.99 -49.47 76.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.86 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.785 HD21 ' HZ ' ' B' ' 532' ' ' PHE . 3.2 mm? -63.9 -43.6 95.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.561 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.401 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 37.5 m -61.5 -40.88 96.2 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.082 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.803 ' HD1' HG13 ' B' ' 566' ' ' VAL . 25.9 t80 -63.33 -44.44 94.89 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.25 -39.58 87.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.899 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.459 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -65.01 -44.23 89.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.196 179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.556 HD11 ' HB1' ' B' ' 553' ' ' ALA . 54.2 mt -62.3 -44.92 99.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.7 -44.6 85.99 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.44 -40.9 96.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -63.41 -28.65 70.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.472 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.6 -32.92 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.54 0.686 . . . . 0.0 109.79 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -95.42 -5.26 43.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.044 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.743 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.6 tp -69.21 134.31 89.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.465 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -86.04 -158.0 0.08 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.8 2.333 . . . . 0.0 111.105 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.869 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.11 147.8 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.526 ' HD1' ' HE1' ' A' ' 532' ' ' PHE . 0.1 OUTLIER -129.11 158.52 38.71 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.357 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.22 133.09 43.13 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.121 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.526 ' HE1' ' HD1' ' A' ' 530' ' ' TYR . 13.7 m-30 -90.48 129.23 36.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.409 0.623 . . . . 0.0 110.937 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -113.45 125.37 54.15 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.838 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . 0.468 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.71 105.15 12.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.83 0.348 . . . . 0.0 110.255 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.7 tp -104.86 147.62 27.55 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.065 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.18 126.86 36.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.9 OUTLIER -114.38 137.7 51.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.195 -178.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.495 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -81.71 157.99 24.38 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -46.78 60.75 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.83 -45.35 82.56 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -79.49 -30.88 42.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.74 0.305 . . . . 0.0 111.339 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 546' ' ' VAL . 77.9 t80 -55.91 -51.18 68.52 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 1.027 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.1 p -67.52 -34.5 77.24 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.179 0.514 . . . . 0.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . 0.404 ' HG3' ' HZ ' ' B' ' 548' ' ' PHE . 7.3 tptm -66.16 -44.78 83.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.632 HG22 ' HE2' ' B' ' 548' ' ' PHE . 59.2 t -71.21 -43.07 75.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.072 0.463 . . . . 0.0 111.68 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' A' ' 642' ' ' LEU . 54.7 t -60.2 -50.54 79.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.175 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.7 OUTLIER -69.33 -34.07 74.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.555 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.559 ' HZ ' ' HE2' ' B' ' 544' ' ' LYS . 8.8 t80 -59.7 -51.87 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.023 0.439 . . . . 0.0 110.894 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 16.9 mt -72.68 -26.3 61.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.0 73.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.5 mmt85 -65.86 -43.12 89.37 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -44.06 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -65.11 -21.29 66.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.967 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -79.8 -11.99 59.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.241 0.543 . . . . 0.0 110.182 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.97 131.76 22.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.128 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.712 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 10.1 Cg_endo -54.71 128.82 31.95 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.539 2.159 . . . . 0.0 111.923 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -119.22 -13.45 9.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.946 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -130.72 160.71 33.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.957 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.76 -45.23 8.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -40.65 60.63 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.157 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.519 HG23 HG22 ' A' ' 582' ' ' ILE . 3.4 p -104.19 105.96 51.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 0.0 110.394 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 561' ' ' VAL . 36.8 Cg_endo -67.84 110.61 2.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.64 2.226 . . . . 0.0 111.662 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -33.58 53.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.048 -178.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.712 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 8.0 tm0? -65.2 -45.9 82.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.9 p -61.47 -34.25 60.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.303 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.3 t -67.65 -39.99 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.901 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.624 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -72.08 -15.22 62.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.334 0.588 . . . . 0.0 109.689 178.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -87.74 -20.59 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.259 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 566' ' ' VAL . 40.7 mt -74.55 141.04 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.745 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -93.58 119.92 66.76 Favored Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.745 ' HD2' HD13 ' A' ' 570' ' ' LEU . 36.7 Cg_endo -67.88 16.73 0.14 Allowed 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.932 2.421 . . . . 0.0 112.394 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 570' ' ' LEU . 62.1 p -107.98 -0.63 21.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 2.5 mt-10 -100.15 -29.48 12.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.068 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 130.5 -159.73 22.91 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.487 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -105.09 1.23 28.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.236 0.541 . . . . 0.0 109.574 178.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -46.96 78.79 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.729 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.636 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.94 -37.46 78.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.728 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -58.79 -48.6 80.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.437 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -66.44 -32.47 73.87 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 54.1 m -64.35 -45.18 88.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.971 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.6 71.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.566 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.654 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.5 OUTLIER -93.65 5.44 7.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.454 -178.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 60.17 38.39 20.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.609 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -83.39 -89.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 80.71 -51.51 4.28 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.136 -0.554 . . . . 0.0 114.076 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -35.06 67.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.498 0.666 . . . . 0.0 110.914 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.01 -24.23 66.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.23 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.402 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -57.08 -24.52 54.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.918 0.389 . . . . 0.0 110.034 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.502 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -60.77 -34.44 59.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.967 178.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.502 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -70.02 -39.64 75.68 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.251 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.429 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 91.7 m-85 -67.21 -44.56 79.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.926 -1.033 . . . . 0.0 109.359 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.18 -38.77 80.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.108 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.59 95.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.09 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.681 ' HB2' HG22 ' A' ' 616' ' ' ILE . 7.6 t30 -80.43 -14.0 58.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.2 11.13 53.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.815 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.487 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -91.3 81.06 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.66 7.43 7.54 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.95 0.405 . . . . 0.0 110.303 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . 0.455 HG22 ' SD ' ' A' ' 599' ' ' MET . 0.2 OUTLIER -114.6 170.9 7.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -84.03 137.98 33.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.929 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.15 -27.61 4.46 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.007 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.63 -37.81 82.7 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.32 -40.81 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.939 179.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.451 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.3 mp -69.88 -42.9 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.036 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -59.51 -45.8 90.68 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.535 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.51 -32.84 74.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.066 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.487 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.2 t80 -66.36 -37.06 84.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.36 0.6 . . . . 0.0 110.516 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.95 -45.13 95.98 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.462 0.648 . . . . 0.0 109.378 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -79.55 -37.44 36.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 61.2 m-70 -125.98 140.32 52.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.525 ' ND2' ' HB2' ' A' ' 532' ' ' PHE . 0.8 OUTLIER -104.55 -5.3 21.64 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -113.47 25.14 11.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.824 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.814 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.4 OUTLIER -51.09 -57.45 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -178.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -61.09 -41.97 97.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.7 mt-10 -63.82 -38.86 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.243 0.544 . . . . 0.0 109.935 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -66.58 -42.81 86.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.584 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 594' ' ' ASN . 37.2 pt -71.42 -22.41 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.14 25.92 4.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.122 -1.037 . . . . 0.0 113.457 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 21.0 mm -66.87 137.57 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -66.82 135.74 54.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.907 0.384 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -63.46 -26.57 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.246 -179.051 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -14.26 62.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.172 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -124.92 -5.69 7.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 110.824 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 8.0 tp -54.07 -44.09 70.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.653 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -48.39 81.96 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -65.04 -37.78 88.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.939 0.4 . . . . 0.0 110.725 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.654 ' HD1' HD12 ' A' ' 582' ' ' ILE . 19.9 m-85 -66.55 -49.42 66.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 5.7 m-85 -66.61 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.59 -50.76 70.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.346 0.593 . . . . 0.0 110.324 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.21 -35.99 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.339 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.814 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -62.39 -49.88 73.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.54 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.551 HD12 ' NH2' ' A' ' 635' ' ' ARG . 3.5 mm? -64.51 -44.73 89.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.896 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 14.8 m -59.57 -42.45 92.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.811 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.508 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -63.07 -40.92 99.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.029 -179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.92 -38.42 82.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.551 ' NH2' HD12 ' A' ' 631' ' ' LEU . 1.9 mmt85 -62.59 -45.72 91.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.598 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 567' ' ' SER . 5.3 mt -67.05 -47.89 80.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.499 0.666 . . . . 0.0 110.49 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.499 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -58.03 -39.05 77.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.451 -179.168 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 638' ' ' GLU . 1.2 tp10 -72.54 -36.08 68.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.668 0.27 . . . . 0.0 110.552 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.14 -25.42 66.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.143 0.497 . . . . 0.0 111.6 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.84 -35.26 78.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.412 0.625 . . . . 0.0 110.136 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -5.59 39.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.83 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 1.027 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.8 tp -61.59 126.76 87.46 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.068 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.64 -170.52 0.53 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.808 2.338 . . . . 0.0 111.348 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 644' ' ' LYS . 6.9 mmtt . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.458 -0.782 . . . . 0.0 110.45 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.085 0.469 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.57 143.58 44.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 111.43 22.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 103.82 15.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.98 147.55 24.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.295 0.569 . . . . 0.0 111.584 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . 0.475 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 4.7 mtp85 -103.45 125.78 50.23 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.725 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.14 113.85 21.83 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.332 0.587 . . . . 0.0 111.863 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 542' ' ' TYR . 9.9 tp -107.17 134.72 49.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.422 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.468 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.49 121.83 33.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.343 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 545' ' ' VAL . 0.6 OUTLIER -120.26 131.78 55.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.744 -179.318 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -78.32 155.26 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 177.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.29 -32.98 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.4 -46.18 67.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.451 ' CD ' HH12 ' A' ' 635' ' ' ARG . 0.0 OUTLIER -81.53 -27.67 34.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.047 0.451 . . . . 0.0 111.718 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.449 ' CE2' HG21 ' B' ' 546' ' ' VAL . 87.5 t80 -52.69 -47.82 66.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.778 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.885 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.0 p -61.2 -37.42 82.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.986 0.422 . . . . 0.0 111.424 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . 0.559 ' HE2' ' HZ ' ' A' ' 548' ' ' PHE . 7.7 tttt -64.97 -43.0 94.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.141 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.461 HG21 HD11 ' B' ' 537' ' ' LEU . 98.0 t -70.43 -43.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.392 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.531 ' HB ' HD21 ' B' ' 642' ' ' LEU . 50.1 t -59.93 -50.18 81.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.843 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -64.61 -37.35 87.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.14 -179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.632 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.6 t80 -59.39 -50.03 75.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.449 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.706 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.76 -30.6 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.34 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.39 -35.16 76.74 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 11.0 mmt85 -68.65 -39.05 80.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.74 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.3 -40.59 86.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.283 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.75 -21.55 61.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -14.95 60.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.454 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.04 132.25 23.11 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.54 128.45 24.77 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.131 1.887 . . . . 0.0 112.628 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -117.69 -19.34 9.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.733 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -121.12 152.41 38.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.496 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -38.71 10.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -72.98 -34.8 66.67 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 5.4 p -114.28 102.09 54.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.721 ' HB2' HG12 ' B' ' 565' ' ' VAL . 24.1 Cg_exo -63.07 94.98 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.295 2.663 . . . . 0.0 112.532 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -24.9 61.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.426 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.21 -50.74 59.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.761 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.757 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.6 p -63.93 -29.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.271 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.77 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -69.01 -39.64 79.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.218 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.432 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.61 -14.12 60.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 179.226 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -11.43 58.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.406 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.688 HG12 ' HD2' ' B' ' 577' ' ' ARG . 6.4 mt -87.54 141.33 14.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.781 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.62 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -87.22 117.79 69.07 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.62 ' HD2' HD13 ' B' ' 570' ' ' LEU . 49.7 Cg_endo -69.59 25.05 0.17 Allowed 'Trans proline' 0 C--N 1.335 -0.158 0 C-N-CA 122.823 2.349 . . . . 0.0 112.279 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.518 ' H ' ' C ' ' B' ' 570' ' ' LEU . 73.1 p -108.65 -3.86 17.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.094 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' B' ' 570' ' ' LEU . 0.0 OUTLIER -98.99 -79.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -168.42 -134.95 1.8 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.698 HD21 HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -128.51 -4.3 5.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.623 0.249 . . . . 0.0 110.573 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -45.16 81.18 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.206 0.527 . . . . 0.0 111.186 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.688 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.4 -36.39 84.01 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -63.22 -44.48 95.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.216 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.465 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.2 OUTLIER -63.8 -40.23 96.15 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 23.1 m -66.83 -37.19 84.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.188 0.518 . . . . 0.0 110.347 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.757 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.53 -36.75 71.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.943 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.581 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -98.45 4.51 9.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.623 -179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.54 43.78 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.387 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.553 ' HB1' ' OD1' ' B' ' 587' ' ' ASP . . . -99.71 -105.29 0.22 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 103.75 -46.51 1.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 115.373 0.909 . . . . 0.0 115.373 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -67.35 -20.1 65.53 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 122.014 0.911 . . . . 0.0 110.651 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.553 ' OD1' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -74.48 -26.29 59.92 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.815 -178.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 6.9 m -56.62 -25.97 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.907 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.516 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -65.84 -34.02 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.001 179.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.516 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -70.14 -43.2 71.43 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.49 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.429 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 96.9 m-85 -66.64 -42.1 87.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.195 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.73 -40.39 87.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.14 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.91 96.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.147 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.4 t30 -81.29 -11.6 59.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.027 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.29 17.97 51.15 Favored Glycine 0 C--O 1.227 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.335 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.698 HG22 HD21 ' B' ' 575' ' ' LEU . 8.6 mt -95.06 99.58 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -148.44 10.84 0.87 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.885 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.95 172.0 10.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.29 144.75 31.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.107 0.48 . . . . 0.0 110.66 -179.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.74 -33.2 4.49 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.424 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.99 -49.21 78.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 111.32 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.456 ' SD ' HD12 ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.58 -38.4 89.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.575 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.5 mp -68.37 -41.2 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.131 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -64.06 -41.49 97.34 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.181 0.515 . . . . 0.0 109.694 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -34.09 77.14 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.204 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.586 ' HA ' HD11 ' B' ' 612' ' ' ILE . 65.5 t80 -66.77 -37.74 85.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.3 0.571 . . . . 0.0 110.653 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 45.4 mt-10 -68.29 -38.56 81.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.497 0.665 . . . . 0.0 109.659 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -76.46 -41.17 48.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.386 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -138.07 147.35 43.96 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.087 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -102.37 -3.02 27.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.59 0.709 . . . . 0.0 109.327 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -115.3 33.96 5.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.71 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.694 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.8 OUTLIER -53.33 -54.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.846 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.1 m-85 -59.36 -39.54 83.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.757 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.13 -32.91 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.37 0.605 . . . . 0.0 109.605 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -36.79 76.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.497 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 41.4 pt -81.06 -20.42 11.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.88 27.8 4.45 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.231 -0.985 . . . . 0.0 113.772 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 17.1 mm -68.42 142.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.903 0.351 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.2 132.94 48.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.564 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.1 OUTLIER -65.29 -24.07 67.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.227 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.1 m -69.86 -14.76 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.331 . . . . 0.0 111.686 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 626' ' ' TYR . 2.7 mtpt -123.72 -4.03 8.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 4.8 tp -54.06 -44.8 71.4 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 -177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -47.34 85.83 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.047 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -62.16 -37.13 84.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.16 -179.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.581 ' HD1' HD12 ' B' ' 582' ' ' ILE . 24.2 m-85 -68.85 -50.61 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.552 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -63.61 -33.3 75.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.075 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.38 -51.5 69.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.505 0.669 . . . . 0.0 109.325 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' B' ' 566' ' ' VAL . . . -69.13 -43.0 75.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.187 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.694 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -55.72 -49.31 73.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.456 0.702 . . . . 0.0 112.693 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.495 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.9 mm? -64.83 -44.46 89.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.828 0.347 . . . . 0.0 110.64 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 14.6 m -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.367 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.77 ' HD1' HG13 ' B' ' 566' ' ' VAL . 29.2 t80 -62.54 -42.49 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.85 -40.78 89.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.796 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.706 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -61.31 -45.05 96.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.477 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 567' ' ' SER . 22.5 mt -64.1 -44.85 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -59.44 -47.57 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.146 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.523 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 5.2 tp10 -63.35 -36.69 84.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.745 0.307 . . . . 0.0 110.249 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.7 -24.95 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.335 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.83 67.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.068 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . 0.523 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.26 -6.02 42.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.611 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.885 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 mp -72.65 131.07 84.73 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.412 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . 0.45 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 94.0 Cg_endo -94.11 -140.27 0.02 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.291 2.661 . . . . 0.0 110.935 177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.45 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.826 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.286 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.65 136.48 39.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.495 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 1.7 t80 -70.77 112.83 7.28 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.604 0.716 . . . . 0.0 112.073 -177.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.52 145.55 31.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.738 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -113.13 147.83 36.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.01 127.37 43.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.19 119.27 20.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.0 110.057 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 4.0 tp -112.16 139.87 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.31 122.54 34.88 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -114.72 141.47 47.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 -178.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.735 ' HB3' ' CE1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -73.44 157.42 36.9 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -48.15 80.05 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.61 -44.5 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -72.39 -30.0 64.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.972 0.415 . . . . 0.0 111.679 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 537' ' ' LEU . 93.6 t80 -55.33 -50.42 69.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.892 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.993 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.82 -34.67 78.44 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.069 0.461 . . . . 0.0 111.147 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -66.01 -44.97 83.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.28 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' B' ' 548' ' ' PHE . 57.7 t -71.21 -42.33 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.095 0.474 . . . . 0.0 111.912 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.26 -49.89 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.964 -179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -67.63 -34.79 77.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.992 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.442 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 0.8 OUTLIER -59.29 -48.7 80.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.945 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 24.5 mt -71.3 -30.47 66.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 0.0 111.279 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.55 77.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.219 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 21.3 mmt85 -68.82 -38.43 79.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.22 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.86 -40.52 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.231 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.2 58.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.032 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -79.93 -36.7 35.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 27.9 m -100.5 157.01 34.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.546 ' HB3' ' HG2' ' A' ' 564' ' ' GLN . 35.9 Cg_endo -68.62 127.77 16.04 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.827 1.684 . . . . 0.0 108.169 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 557' ' ' ARG . 9.7 ttm-85 -166.62 -26.65 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.839 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . 0.416 ' CB ' HG13 ' A' ' 561' ' ' VAL . 20.6 m-85 -97.89 142.09 30.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.099 0.476 . . . . 0.0 110.736 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -66.99 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.34 -26.18 62.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 558' ' ' TYR . 2.1 p -113.41 110.62 50.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.262 0.553 . . . . 0.0 110.641 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 5.2 Cg_exo -75.37 75.03 3.99 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.481 2.787 . . . . 0.0 111.963 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -36.57 84.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.059 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' HB3' ' A' ' 556' ' ' PRO . 0.0 OUTLIER -55.24 -39.56 69.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.5 p -85.48 -29.16 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.491 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.613 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -66.52 -39.62 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.036 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.471 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.9 OUTLIER -71.35 -16.11 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.539 . . . . 0.0 110.469 179.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -21.81 39.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.204 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -83.84 146.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.322 0.582 . . . . 0.0 111.295 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.731 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.1 mm? -102.6 131.96 21.82 Favored Pre-proline 0 C--N 1.314 -0.977 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.731 ' HD2' HD13 ' A' ' 570' ' ' LEU . 13.5 Cg_endo -60.94 -8.26 9.37 Favored 'Trans proline' 0 C--N 1.335 -0.156 0 C-N-CA 122.17 1.913 . . . . 0.0 111.512 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 54.5 p -80.29 -14.16 58.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.12 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.596 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.3 OUTLIER -99.93 12.01 37.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.203 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 88.99 -157.64 27.37 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.495 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -116.94 -3.02 11.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.824 0.345 . . . . 0.0 110.437 -179.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.57 -44.76 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.599 -179.075 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.477 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -60.67 -41.58 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.736 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -66.57 -36.15 81.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.648 178.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 84.4 m -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.858 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.76 -44.06 81.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.362 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 5.5 pt -90.72 7.86 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 1.6 mptt 60.76 35.44 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.843 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -100.15 47.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.391 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -73.76 68.93 1.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.475 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 176.2 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.919 0.866 . . . . 0.0 109.047 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.436 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.1 m-20 -71.26 -21.85 62.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.513 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.97 -25.43 58.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.41 -33.89 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -66.54 -38.89 88.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.681 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.525 ' CE1' HD11 ' A' ' 618' ' ' ILE . 60.7 m-85 -68.26 -43.83 76.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.263 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.25 -41.11 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.213 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.53 86.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.461 ' HB2' HG22 ' A' ' 616' ' ' ILE . 3.5 t30 -82.77 -15.09 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.998 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 95.43 11.79 55.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.442 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 3.9 mt -90.1 109.37 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.747 0.308 . . . . 0.0 111.439 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -168.81 21.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.681 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.92 172.88 10.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.4 OUTLIER -80.04 134.34 36.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.776 -179.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.87 -40.38 2.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.436 ' HA ' ' HE ' ' A' ' 604' ' ' ARG . 0.0 OUTLIER -58.24 -44.44 88.28 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 122.998 0.519 . . . . 0.0 111.317 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.3 ttt -62.82 -47.07 85.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' A' ' 607' ' ' GLU . 0.9 OUTLIER -67.59 -41.18 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -61.89 -35.16 77.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.056 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.414 ' OE2' ' HD2' ' A' ' 609' ' ' HIS . 7.2 tp10 -64.92 -35.66 81.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.627 178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.832 ' HA ' HD11 ' A' ' 612' ' ' ILE . 81.2 t80 -69.01 -38.45 79.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.326 0.584 . . . . 0.0 109.655 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 79.4 mt-10 -69.18 -46.87 66.44 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -29.81 49.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.414 ' HD2' ' OE2' ' A' ' 605' ' ' GLU . 6.3 m-70 -111.13 -42.79 3.86 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 75.52 -47.34 0.59 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.992 0.517 . . . . 0.0 111.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -103.51 41.34 1.28 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.589 0.709 . . . . 0.0 109.923 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.832 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -54.39 -59.1 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.549 -179.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.8 m-85 -56.74 -43.0 80.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.374 -178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.418 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.1 OUTLIER -65.24 -39.75 93.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.135 0.493 . . . . 0.0 110.984 179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -70.52 -43.04 70.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.525 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.471 HD11 HG12 ' A' ' 618' ' ' ILE . 40.9 pt -68.67 -24.3 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.41 24.51 4.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 119.759 -1.21 . . . . 0.0 113.745 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.525 HD11 ' CE1' ' A' ' 591' ' ' PHE . 13.2 mm -67.21 145.98 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.92 128.31 35.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.848 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -71.12 -25.59 62.65 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -16.8 64.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.055 0.455 . . . . 0.0 111.545 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 626' ' ' TYR . 17.2 mtmt -126.81 8.85 6.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.848 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 11.7 tp -53.39 -41.62 66.1 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.517 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.07 -44.35 97.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.593 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -67.01 -38.45 85.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.862 0.363 . . . . 0.0 110.504 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.577 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 39.4 m-85 -60.22 -52.86 63.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.25 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -66.25 -31.21 71.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.582 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -64.0 -51.86 62.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.701 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.31 77.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.066 0.46 . . . . 0.0 110.51 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.749 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -59.18 -45.27 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.261 178.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.521 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -66.67 -40.84 88.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.619 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -43.26 88.07 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.501 . . . . 0.0 110.144 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.613 ' HD1' HG13 ' A' ' 566' ' ' VAL . 1.8 t80 -60.64 -45.67 93.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.851 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -39.0 89.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.565 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 635' ' ' ARG . 0.6 OUTLIER -66.24 -45.55 80.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.836 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 567' ' ' SER . 20.8 mt -64.13 -43.58 97.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.1 -46.32 85.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -35.92 81.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.577 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.9 -24.34 67.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.337 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 11.3 mtp -68.23 -33.05 73.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.986 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -6.43 47.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.993 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -69.41 130.02 91.18 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.226 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -88.61 -168.59 0.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.983 2.455 . . . . 0.0 111.11 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.761 -0.638 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -110.88 -71.32 0.77 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.735 ' CE1' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER -121.52 99.62 6.57 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.458 0.646 . . . . 0.0 112.515 -178.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 61.5 m -114.75 122.77 47.42 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.21 128.39 35.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.295 0.569 . . . . 0.0 111.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 126.19 53.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.007 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 102.87 14.41 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.29 0.567 . . . . 0.0 110.716 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.0 tp -89.84 149.74 22.53 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.607 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.06 121.87 33.22 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.764 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -112.69 129.88 56.25 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.611 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.521 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.1 OUTLIER -82.77 158.95 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -48.39 65.2 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.11 -44.33 65.86 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -67.23 -29.52 69.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.15 0.5 . . . . 0.0 110.511 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' B' ' 537' ' ' LEU . 58.7 t80 -55.6 -51.75 66.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.618 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.977 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.1 p -67.26 -33.69 75.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.467 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -45.5 79.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.767 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.508 HG21 HD11 ' B' ' 537' ' ' LEU . 54.2 t -71.02 -42.99 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.434 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' B' ' 638' ' ' GLU . 43.5 t -59.11 -50.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.33 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.7 mm-40 -69.45 -33.82 73.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.253 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.683 ' HE2' HG22 ' A' ' 545' ' ' VAL . 0.9 OUTLIER -59.51 -48.04 83.19 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.2 mt -72.1 -34.37 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.923 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.79 -32.88 73.19 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.669 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 10.5 mmt180 -60.39 -48.53 81.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -33.06 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.721 0.772 . . . . 0.0 110.09 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.652 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -76.92 -17.94 58.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.186 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -98.4 -44.79 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.943 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.94 127.74 37.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.672 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.624 ' HB3' ' HG2' ' B' ' 564' ' ' GLN . 11.1 Cg_endo -54.95 129.21 34.07 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.93 2.42 . . . . 0.0 111.957 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -149.6 -34.35 0.18 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.131 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.85 130.36 42.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.976 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -44.19 62.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.187 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -74.03 -36.28 64.4 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' B' ' 562' ' ' PRO . 6.2 p -113.64 110.83 49.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.184 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 3.8 Cg_exo -80.36 85.28 1.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.392 2.728 . . . . 0.0 111.394 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . 0.465 ' HB ' ' HA ' ' B' ' 553' ' ' ALA . 0.9 OUTLIER -72.21 -26.2 61.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.926 -179.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.624 ' HG2' ' HB3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -55.64 -47.16 77.1 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.538 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.1 p -71.04 -27.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.029 0.442 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.789 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.41 -36.97 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.483 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -74.3 -15.12 60.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.296 0.569 . . . . 0.0 110.154 179.397 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -16.69 50.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.649 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -79.93 139.46 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.696 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.672 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -89.63 118.09 68.71 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.672 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.6 Cg_endo -67.56 20.63 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.24 0 C-N-CA 123.087 2.525 . . . . 0.0 112.108 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.713 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 53.2 p -108.16 -13.11 14.99 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.315 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 -50.72 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.622 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.53 -146.45 14.25 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.238 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.506 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -116.04 -3.77 12.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.489 0.185 . . . . 0.0 111.051 -179.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -44.4 87.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 111.466 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.535 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.33 81.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.998 0.427 . . . . 0.0 110.098 179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -61.65 -47.3 86.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.77 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.501 ' O ' HG12 ' B' ' 582' ' ' ILE . 0.1 OUTLIER -63.39 -42.29 98.79 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 52.1 m -61.84 -37.41 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.544 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.538 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.34 -36.86 71.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.078 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.53 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.5 OUTLIER -102.39 9.44 8.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.021 -179.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.8 mttt 61.24 41.65 13.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.406 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.612 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -96.15 46.48 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.205 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.43 62.66 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.179 -0.534 . . . . 0.0 112.326 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -176.0 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.512 0.673 . . . . 0.0 109.667 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -21.9 62.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.577 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.28 -25.63 59.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.458 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.509 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -61.37 -33.88 58.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.099 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.509 HD22 HG12 ' B' ' 589' ' ' VAL . 1.1 mm? -66.15 -38.49 88.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.628 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.451 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 81.9 m-85 -67.34 -44.34 79.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -61.02 -37.7 83.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.82 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.08 96.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.057 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.494 ' HB2' HG22 ' B' ' 616' ' ' ILE . 6.8 t30 -80.69 -13.81 58.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.059 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.08 14.61 41.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.256 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.506 HG22 HD21 ' B' ' 575' ' ' LEU . 5.8 mt -95.53 92.68 3.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.702 0.287 . . . . 0.0 110.5 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.9 11.1 2.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.226 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 173.6 10.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.119 0.485 . . . . 0.0 111.945 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.713 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 5.7 ptm -80.28 149.84 30.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.078 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 80.76 -34.17 2.33 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -47.84 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.581 0.352 . . . . 0.0 111.725 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -40.81 96.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.811 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -40.82 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.092 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -62.76 -45.34 93.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.14 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 18.0 mm-40 -65.26 -34.64 78.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.361 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.849 ' HA ' HD11 ' B' ' 612' ' ' ILE . 68.8 t80 -64.91 -38.72 91.9 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.595 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -74.56 -46.2 40.42 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -21.19 48.47 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.7 m-70 -122.32 -50.39 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.769 -0.582 . . . . 0.0 112.569 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 77.31 -33.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.507 0.723 . . . . 0.0 111.639 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 6.7 t0 -102.78 39.73 1.49 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.467 0.651 . . . . 0.0 109.655 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.849 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -62.74 -58.51 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 114.947 -1.024 . . . . 0.0 113.204 -178.171 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.8 m-85 -57.29 -40.81 78.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 111.008 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.629 ' HG2' HD11 ' B' ' 623' ' ' LEU . 1.1 mm-40 -66.43 -36.96 84.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.17 0.509 . . . . 0.0 110.235 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.6 -42.76 73.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.965 -178.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.9 pt -70.88 -22.89 23.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.37 30.37 3.37 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.032 -1.08 . . . . 0.0 113.245 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.1 mm -66.64 145.56 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.95 129.05 38.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.732 0.301 . . . . 0.0 110.829 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -38.61 84.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 1.9 m -70.5 -8.84 54.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 0.0 111.669 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.438 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.8 mtpt -122.79 -5.48 8.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.8 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' B' ' 614' ' ' GLU . 2.3 tp -55.31 -45.07 76.3 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.754 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' B' ' 628' ' ' GLU . 0.0 OUTLIER -60.03 -48.0 83.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.258 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.08 93.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.415 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.612 ' HE1' ' HB2' ' B' ' 584' ' ' ALA . 12.7 m-85 -65.98 -51.57 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' B' ' 613' ' ' PHE . 9.2 m-85 -64.86 -35.21 80.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.301 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -60.14 -50.04 75.27 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.89 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.99 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.791 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.6 OUTLIER -60.42 -49.43 77.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.388 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.83 -43.51 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.519 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 56.8 m -60.39 -46.46 89.9 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.967 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.789 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.0 t80 -60.47 -44.63 95.69 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -61.59 -41.15 97.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.338 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' B' ' 635' ' ' ARG . 5.1 mmt180 -65.88 -44.83 84.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.652 HD11 ' HB1' ' B' ' 553' ' ' ALA . 30.2 mt -59.42 -46.47 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-O 121.185 0.516 . . . . 0.0 109.859 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -39.62 82.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.291 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.602 ' HB3' HG11 ' B' ' 546' ' ' VAL . 1.7 mt-10 -68.64 -41.01 79.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.623 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.812 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.38 -24.93 67.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 17.8 mtt -66.81 -33.62 76.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.612 . . . . 0.0 109.56 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -5.69 45.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.803 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.977 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.0 OUTLIER -79.29 133.64 60.1 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.905 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 11.7 Cg_exo -70.81 -63.63 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.374 2.049 . . . . 0.0 110.081 177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' B' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.237 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -143.24 -48.5 0.31 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.495 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' B' ' 538' ' ' SER . 0.4 OUTLIER -157.19 132.33 8.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 111.522 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.51 147.91 45.57 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.845 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.724 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 1.6 m-85 -93.26 140.86 29.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.145 0.498 . . . . 0.0 111.195 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 533' ' ' ARG . 4.1 mtp-105 -121.81 126.33 48.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.23 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.78 116.84 27.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.48 HD11 ' NH2' ' B' ' 635' ' ' ARG . 20.6 tp -111.55 149.96 30.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.683 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.92 121.89 33.14 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -109.85 141.85 41.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.71 -178.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -74.02 157.91 35.28 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.928 178.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.51 71.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.69 -40.76 76.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.442 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.16 -26.38 61.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.234 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.599 ' HB2' ' O ' ' A' ' 538' ' ' SER . 75.7 t80 -52.53 -49.82 64.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.377 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.937 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.7 p -66.27 -33.96 76.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.731 0.301 . . . . 0.0 111.299 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.99 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.62 -43.19 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.0 111.645 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 56.0 t -60.29 -50.5 80.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.914 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -66.79 -34.16 77.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.173 -178.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.2 t80 -59.09 -50.61 73.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.984 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.4 mt -71.57 -28.31 63.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.1 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.31 -32.83 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 20.7 mmt85 -64.1 -47.32 80.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.13 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -67.93 -31.61 71.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.665 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -71.62 -33.74 69.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.419 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -82.73 -50.32 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 5.4 t -101.98 110.58 62.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.711 ' HG3' ' HB2' ' A' ' 564' ' ' GLN . 99.4 Cg_exo -34.02 126.43 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 124.121 3.214 . . . . 0.0 114.345 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.536 ' HB3' ' HB3' ' A' ' 552' ' ' GLU . 4.2 ttt180 -169.22 28.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.752 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -106.75 162.11 14.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.173 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 4.2 p -45.88 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.072 0.858 . . . . 0.0 113.149 -178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -144.3 51.89 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 0.0 110.543 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 629' ' ' ALA . 2.0 p -143.66 124.17 7.84 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.584 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.407 ' HB2' HG12 ' A' ' 565' ' ' VAL . 19.0 Cg_endo -60.73 94.76 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.139 2.559 . . . . 0.0 111.937 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.42 -32.12 26.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.352 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.711 ' HB2' ' HG3' ' A' ' 556' ' ' PRO . 1.5 tm0? -56.41 -45.09 80.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.199 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 569' ' ' ILE . 10.9 p -73.59 -31.2 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.557 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.551 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -66.18 -39.92 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.366 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.14 -18.88 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.393 0.616 . . . . 0.0 109.897 179.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -86.09 -14.23 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.226 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 565' ' ' VAL . 68.8 mt -73.76 136.13 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.553 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -84.87 115.88 62.85 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.611 ' O ' ' HB2' ' A' ' 599' ' ' MET . 40.1 Cg_endo -67.76 22.36 0.12 Allowed 'Trans proline' 0 C--N 1.334 -0.227 0 C-N-CA 122.646 2.231 . . . . 0.0 112.328 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.544 ' H ' ' C ' ' A' ' 570' ' ' LEU . 60.1 p -109.93 -16.79 13.77 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.371 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.502 ' OE2' ' HB2' ' A' ' 577' ' ' ARG . 0.3 OUTLIER -85.46 -43.31 13.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.85 0.357 . . . . 0.0 110.67 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 145.32 -133.94 5.3 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.0 OUTLIER -123.47 4.04 9.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.828 0.347 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.402 ' HG3' ' OE2' ' A' ' 573' ' ' GLU . 0.9 OUTLIER -57.05 -46.01 82.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.079 -179.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.502 ' HB2' ' OE2' ' A' ' 573' ' ' GLU . 0.0 OUTLIER -68.45 -37.23 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.661 0.267 . . . . 0.0 110.816 179.211 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.26 77.81 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.128 0.49 . . . . 0.0 110.126 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 85.8 m -70.49 -43.39 69.82 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.619 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.03 -45.22 75.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.121 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.562 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -86.93 1.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.938 -178.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 40.39 30.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.668 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.458 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -58.98 -69.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.157 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 126.39 -127.41 6.04 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.635 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.57 26.58 1.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.56 -24.04 62.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.147 0.499 . . . . 0.0 110.09 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -57.71 -25.29 60.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.512 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.478 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -61.82 -34.15 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.082 178.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 589' ' ' VAL . 0.8 OUTLIER -68.47 -38.92 81.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 596' ' ' ILE . 93.7 m-85 -67.33 -39.47 85.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.288 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.445 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.8 t-20 -62.35 -41.87 98.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.046 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.44 -38.3 83.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.338 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.594 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.6 t30 -81.88 -11.44 58.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.382 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 87.31 23.75 39.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.293 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 591' ' ' PHE . 17.7 mt -83.73 -102.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.445 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 37.5 p90 49.26 0.56 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.38 171.67 7.69 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.719 -0.613 . . . . 0.0 111.813 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.611 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -80.46 149.64 30.02 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.681 179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.35 -41.0 2.01 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.479 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 604' ' ' ARG . 2.5 t70 -57.28 -43.96 83.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 7.5 ttp -61.49 -46.67 89.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.031 0.443 . . . . 0.0 110.729 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.99 -40.23 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.33 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.469 ' NH2' ' HG2' ' A' ' 605' ' ' GLU . 6.4 ttp85 -60.76 -47.14 87.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.217 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.469 ' HG2' ' NH2' ' A' ' 604' ' ' ARG . 9.2 mm-40 -62.01 -36.46 81.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.653 ' HA ' HD11 ' A' ' 612' ' ' ILE . 59.7 t80 -62.47 -45.08 94.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.641 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.45 -36.84 81.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -76.22 -25.24 54.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.152 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.2 -128.91 0.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 176.46 -35.46 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -106.26 41.26 1.45 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.838 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.653 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.1 mp -52.65 -56.73 6.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.46 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 2.6 m-85 -59.17 -39.62 83.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.26 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 -38.29 88.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.227 0.537 . . . . 0.0 110.508 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -42.16 76.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.08 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.594 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.0 pt -70.76 -22.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.66 28.72 3.61 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.113 -1.042 . . . . 0.0 113.32 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.44 HG12 HD11 ' A' ' 616' ' ' ILE . 17.8 mm -71.83 141.66 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.507 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 8.2 t0 -65.6 134.55 53.53 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.739 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.786 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.6 OUTLIER -68.07 -28.25 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -178.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -17.15 64.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.132 0.491 . . . . 0.0 111.035 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 619' ' ' ASP . 35.0 mtmt -117.62 -3.94 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.254 0.549 . . . . 0.0 109.756 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.786 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 7.3 tp -54.75 -44.44 73.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.793 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -48.23 82.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -61.15 -38.12 85.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.562 ' HD1' HD12 ' A' ' 582' ' ' ILE . 23.7 m-85 -69.43 -51.09 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.724 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 8.4 m-85 -65.66 -31.9 73.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.695 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -49.97 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -66.67 -34.42 77.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.699 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.472 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.1 OUTLIER -58.39 -43.69 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.546 179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.587 ' HG ' ' OG ' ' B' ' 538' ' ' SER . 0.2 OUTLIER -61.74 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.223 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -62.88 -46.87 85.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.757 -179.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.99 89.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.618 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -62.09 -39.77 93.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.091 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 11.1 mmp_? -66.13 -40.36 90.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 567' ' ' SER . 44.8 mt -61.45 -48.73 87.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.122 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -59.01 -42.81 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.844 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 546' ' ' VAL . 0.8 OUTLIER -62.51 -42.93 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.098 178.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -66.2 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.057 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 22.5 mtt -69.29 -31.35 69.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.459 0.647 . . . . 0.0 109.333 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -92.81 -6.35 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.703 -179.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.937 ' HG ' HG22 ' A' ' 543' ' ' THR . 0.6 OUTLIER -61.64 142.92 94.18 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.436 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 57.5 4.83 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.969 2.446 . . . . 0.0 112.723 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.308 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -85.24 -12.86 51.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.406 0.146 . . . . 0.0 111.189 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.693 ' CD1' ' HA ' ' B' ' 624' ' ' SER . 0.2 OUTLIER -146.2 112.77 5.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -179.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 124.14 46.96 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.466 ' HE1' HD21 ' B' ' 631' ' ' LEU . 19.8 m-85 -87.67 129.22 35.21 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.208 0.527 . . . . 0.0 111.7 -178.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -125.55 134.36 52.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.832 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.12 119.18 24.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.147 0.499 . . . . 0.0 110.711 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.67 138.21 38.02 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.753 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.34 120.99 33.4 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.453 HD11 HG21 ' B' ' 545' ' ' VAL . 0.5 OUTLIER -122.49 142.36 50.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.963 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.587 ' OG ' ' HG ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -80.99 156.99 25.66 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -46.92 86.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.33 68.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -70.78 -28.06 64.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.179 0.514 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' B' ' 538' ' ' SER . 85.5 t80 -54.24 -50.16 67.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.196 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.63 HG22 ' HG ' ' B' ' 642' ' ' LEU . 40.7 p -61.44 -35.24 77.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -66.05 -44.89 83.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.453 HG21 HD11 ' B' ' 537' ' ' LEU . 48.1 t -70.84 -41.55 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' B' ' 638' ' ' GLU . 41.3 t -60.18 -50.77 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.811 ' HG3' ' HE3' ' B' ' 644' ' ' LYS . 0.0 OUTLIER -67.35 -31.36 71.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.974 -179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.496 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -58.37 -50.63 72.98 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.686 ' HA ' ' HG3' ' B' ' 552' ' ' GLU . 17.4 mt -72.59 -29.48 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.319 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . 0.466 ' HB1' ' HE3' ' B' ' 554' ' ' LYS . . . -63.62 -33.16 74.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 15.5 mmt85 -65.58 -40.74 93.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.037 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.686 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.1 OUTLIER -68.02 -32.24 72.47 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 121.456 0.646 . . . . 0.0 109.605 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.71 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -75.84 -35.11 60.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.901 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HE3' ' HB1' ' B' ' 550' ' ' ALA . 34.4 mttt -73.32 -57.08 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 15.6 t -104.79 118.42 56.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.767 ' HD3' ' HB2' ' B' ' 564' ' ' GLN . 2.2 Cg_endo -43.98 126.61 6.2 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.679 2.919 . . . . 0.0 113.986 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 24.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.455 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . 0.594 ' HE1' ' HB2' ' B' ' 552' ' ' GLU . 5.7 m-85 -106.71 160.29 15.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.649 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . 0.449 ' HB ' ' H ' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -75.32 -109.07 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.449 ' H ' ' HB ' ' B' ' 559' ' ' THR . 0.7 OUTLIER -83.84 46.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' B' ' 558' ' ' TYR . 2.2 p -158.21 125.15 2.59 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.865 0.364 . . . . 0.0 110.997 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.511 ' HG2' ' O ' ' B' ' 581' ' ' ALA . 27.1 Cg_exo -63.95 147.81 91.83 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.02 2.48 . . . . 0.0 111.551 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -135.02 -43.3 0.73 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.777 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.767 ' HB2' ' HD3' ' B' ' 556' ' ' PRO . 19.7 tt0 -58.61 -43.49 89.6 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.518 ' O ' HG13 ' B' ' 569' ' ' ILE . 14.4 p -66.92 -29.84 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.051 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.527 ' HA ' ' CD1' ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.83 -40.23 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.517 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.97 -16.64 62.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.527 0.679 . . . . 0.0 109.926 179.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -83.91 -17.14 41.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.308 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 11.2 mt -79.79 137.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -83.54 121.32 76.44 Favored Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.36 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.722 ' HD2' HD13 ' B' ' 570' ' ' LEU . 23.1 Cg_endo -65.11 9.83 0.16 Allowed 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.496 2.13 . . . . 0.0 112.161 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' B' ' 599' ' ' MET . 28.5 p -108.35 -6.07 16.43 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.228 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.02 -62.43 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.289 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 165.15 -155.42 26.79 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.1 OUTLIER -116.73 -6.94 11.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.911 0.356 . . . . 0.0 110.556 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -40.55 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.441 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.26 -37.18 86.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.276 0.56 . . . . 0.0 109.584 178.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' B' ' 575' ' ' LEU . 61.9 t80 -63.5 -45.27 91.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.666 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -42.43 96.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.868 178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 44.7 m -61.41 -39.18 89.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.034 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 562' ' ' PRO . . . -58.72 -45.69 89.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.633 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.453 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.5 pt -86.77 6.87 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.829 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.34 37.54 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -66.25 -67.6 0.43 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.48 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 94.27 -98.43 2.32 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.817 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -82.85 4.59 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.502 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 7.6 m-20 -70.8 -24.77 62.63 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.228 -0.295 . . . . 0.0 111.461 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.426 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.53 -26.56 65.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 0.0 110.774 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' B' ' 590' ' ' LEU . 0.9 OUTLIER -60.98 -33.66 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.363 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' B' ' 589' ' ' VAL . 1.0 OUTLIER -66.71 -37.95 85.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.252 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.516 ' HA ' HD12 ' B' ' 596' ' ' ILE . 87.7 m-85 -68.24 -42.32 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.017 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -58.81 -43.56 90.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.923 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.29 86.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.695 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.596 ' HB2' HG22 ' B' ' 616' ' ' ILE . 52.1 t30 -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.12 15.84 46.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.502 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' B' ' 591' ' ' PHE . 9.8 mt -83.15 -101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . 0.504 ' HA ' HD11 ' B' ' 575' ' ' LEU . 17.8 p90 51.79 -3.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . 0.417 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.2 OUTLIER -111.21 171.24 7.59 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.24 0.543 . . . . 0.0 111.878 -179.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' B' ' 572' ' ' THR . 0.2 OUTLIER -80.86 145.39 31.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.488 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.3 -37.63 2.41 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.454 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.29 -38.3 79.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -64.88 -40.86 95.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.221 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.416 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.4 mt -68.42 -42.91 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.549 ' NH2' ' HG2' ' B' ' 605' ' ' GLU . 4.5 ttp85 -61.53 -40.25 93.98 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.956 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.549 ' HG2' ' NH2' ' B' ' 604' ' ' ARG . 7.1 mm-40 -63.46 -38.55 91.56 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.146 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.709 ' HA ' HD11 ' B' ' 612' ' ' ILE . 79.3 t80 -67.26 -37.49 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 0.0 110.101 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.8 -43.73 78.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.527 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -77.04 -41.34 42.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.498 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 5.4 m-70 -105.87 -132.98 0.32 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.974 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 0.4 OUTLIER 168.0 -33.84 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -98.49 27.27 4.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.338 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -51.17 -61.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.407 -178.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.404 ' HA ' HG12 ' B' ' 616' ' ' ILE . 2.9 m-85 -58.07 -39.64 79.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.422 . . . . 0.0 111.097 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.41 94.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.241 0.544 . . . . 0.0 110.772 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -40.9 73.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 113.016 -178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.3 pt -68.05 -25.19 31.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . 0.436 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.29 27.99 3.72 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.608 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.43 HG12 HD11 ' B' ' 616' ' ' ILE . 19.2 mm -66.05 147.34 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.496 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 14.0 t70 -62.83 121.01 12.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.948 0.404 . . . . 0.0 110.421 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -38.42 69.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -10.55 59.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.021 0.439 . . . . 0.0 111.338 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.568 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 34.6 mtpt -117.68 -4.96 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.675 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' B' ' 530' ' ' TYR . 3.7 tp -53.69 -43.73 69.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.418 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.693 ' HA ' ' CD1' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.701 -178.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.516 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -63.4 -37.01 85.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.568 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 2.1 m-30 -67.34 -50.95 57.9 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.373 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.401 ' CD2' ' HG ' ' B' ' 623' ' ' LEU . 7.7 m-85 -65.37 -32.7 74.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.2 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -50.56 73.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.06 80.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.568 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.3 OUTLIER -58.67 -45.07 90.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.31 178.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.518 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.2 mm? -66.77 -39.65 87.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.353 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.478 ' O ' HG13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -63.87 -45.67 88.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.658 0.266 . . . . 0.0 110.342 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -60.68 -42.88 97.98 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.977 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.86 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.48 ' NH2' HD11 ' A' ' 535' ' ' LEU . 11.3 mmp_? -66.02 -43.71 86.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.418 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.71 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -59.64 -49.08 85.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.583 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.248 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.447 ' HB3' HG11 ' B' ' 546' ' ' VAL . 2.1 tt0 -67.58 -41.21 84.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.291 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -64.46 -31.81 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.357 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 4.3 mtm -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.509 0.671 . . . . 0.0 109.543 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -5.08 41.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.314 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.676 HD22 ' HA ' ' B' ' 639' ' ' ALA . 0.5 OUTLIER -65.26 130.68 94.83 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.044 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.3 111.0 2.15 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.576 2.184 . . . . 0.0 111.755 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.811 ' HE3' ' HG3' ' B' ' 547' ' ' GLU . 1.2 mttm . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.493 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -151.11 76.73 1.24 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.01 -1.45 . . . . 0.0 107.842 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.663 ' CD1' ' HB2' ' B' ' 538' ' ' SER . 0.1 OUTLIER -51.64 156.81 1.26 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.944 -1.48 . . . . 0.0 111.536 -179.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.44 138.88 58.68 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.143 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 26.8 m-85 -104.49 131.75 51.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.178 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 126.58 37.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.494 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . 0.809 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -86.2 103.94 15.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.586 HD13 ' HE1' ' B' ' 542' ' ' TYR . 1.2 tp -88.91 150.36 22.89 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.924 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.68 119.73 31.16 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.378 0.609 . . . . 0.0 109.873 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -120.4 134.03 55.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.915 -178.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 156.92 38.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -39.91 79.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.33 -43.8 69.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -75.53 -29.45 59.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.461 . . . . 0.0 111.225 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.8 t80 -55.36 -46.81 76.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.319 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 1.021 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -64.12 -33.96 76.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.323 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -65.67 -42.41 91.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.499 HG22 HD11 ' B' ' 549' ' ' LEU . 88.7 t -70.31 -43.22 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.108 0.48 . . . . 0.0 111.224 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.52 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 44.5 t -60.77 -49.57 84.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -65.86 -32.38 73.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.055 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.637 ' HE2' HG22 ' B' ' 545' ' ' VAL . 2.7 t80 -62.53 -50.38 71.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.745 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.3 mt -71.17 -27.2 63.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.52 83.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.422 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 41.3 mmt-85 -62.96 -48.59 78.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.275 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.52 -39.37 90.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.05 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.734 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.16 -19.33 56.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.265 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -87.03 -29.19 22.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.605 0.24 . . . . 0.0 111.532 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.97 153.12 49.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.728 0.299 . . . . 0.0 111.563 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -72.61 127.0 11.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 N-CA-C 108.432 -1.411 . . . . 0.0 108.432 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.83 -41.43 0.05 OUTLIER 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.013 0.435 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -94.47 123.33 37.83 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.53 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -23.9 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.46 0.648 . . . . 0.0 109.277 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -72.23 -42.82 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.449 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.462 HG21 ' HB3' ' A' ' 628' ' ' GLU . 1.3 p -122.87 113.1 30.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.066 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 17.3 Cg_exo -66.84 81.17 0.34 Allowed 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.117 2.544 . . . . 0.0 113.318 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.413 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -88.63 -25.81 22.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.983 0.42 . . . . 0.0 110.846 179.525 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.41 ' HG3' ' H ' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -60.75 -46.84 88.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.063 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 581' ' ' ALA . 12.8 p -75.16 -21.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.278 0.561 . . . . 0.0 110.191 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -68.44 -37.83 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.634 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.707 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -73.72 -14.29 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.685 0.755 . . . . 0.0 110.157 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -82.07 -5.77 58.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 2.2 mt -98.83 145.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 111.535 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.592 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -104.63 123.2 41.01 Favored Pre-proline 0 N--CA 1.441 -0.923 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 176.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 599' ' ' MET . 22.9 Cg_endo -60.76 -6.42 5.87 Favored 'Trans proline' 0 C--O 1.226 -0.12 0 C-N-CA 122.696 2.264 . . . . 0.0 112.058 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 73.0 p -80.53 -16.45 54.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.812 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -15.3 25.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 119.16 -164.17 13.24 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.144 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.491 ' H ' ' HG ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -110.33 -1.73 17.05 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -44.5 73.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.555 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.503 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.21 -36.43 79.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -59.9 -42.84 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.3 OUTLIER -66.81 -41.16 87.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 49.9 m -62.62 -39.51 94.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.326 0.584 . . . . 0.0 110.494 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.0 -40.73 73.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.628 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 10.1 pt -95.45 7.02 7.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.43 42.18 18.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.244 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -81.81 -74.79 0.32 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.74 -64.67 2.96 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.204 -0.522 . . . . 0.0 114.234 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -75.71 -19.72 58.89 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.516 -0.403 . . . . 0.0 111.969 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.456 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 11.3 m-20 -73.82 -25.34 60.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.703 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.48 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -59.85 -26.17 65.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 110.979 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.494 HG12 HD22 ' A' ' 590' ' ' LEU . 0.4 OUTLIER -61.37 -33.44 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.494 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.75 -36.97 83.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.579 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.48 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 90.9 m-85 -68.33 -38.3 81.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.395 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.6 t-20 -62.24 -41.34 98.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.597 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.42 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.189 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.58 ' HB3' HG13 ' A' ' 596' ' ' ILE . 4.0 t30 -81.74 -10.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.068 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 81.53 27.77 46.22 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.253 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.58 HG13 ' HB3' ' A' ' 594' ' ' ASN . 22.3 mt -85.19 -106.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.771 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 25.9 p90 47.74 10.44 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 172.05 11.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.169 0.509 . . . . 0.0 112.361 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.704 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.52 142.77 32.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.794 -179.686 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.86 -47.64 3.58 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.237 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -46.45 88.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.777 0.322 . . . . 0.0 111.377 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.49 ' SD ' HD22 ' A' ' 575' ' ' LEU . 0.1 OUTLIER -63.75 -44.03 94.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.435 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.8 mp -67.85 -40.81 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.555 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -62.61 -44.33 96.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.177 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.9 mm-40 -63.33 -36.12 82.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.187 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.67 ' HA ' HD11 ' A' ' 612' ' ' ILE . 50.6 t80 -67.09 -38.72 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.022 0.439 . . . . 0.0 110.168 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.34 -39.05 78.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.593 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -76.22 -32.18 58.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.196 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.438 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 9.1 m-70 -116.48 -139.73 0.37 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.006 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.438 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.2 p30 176.63 -22.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.239 -1.346 . . . . 0.0 107.463 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -111.44 33.84 4.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.808 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.692 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -57.55 -54.3 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.347 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.84 -39.39 84.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.487 ' HG3' HD21 ' A' ' 623' ' ' LEU . 0.4 OUTLIER -66.52 -37.63 85.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.406 0.622 . . . . 0.0 110.052 178.492 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.43 78.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.148 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.422 HG22 ' HB2' ' A' ' 594' ' ' ASN . 47.1 pt -69.45 -25.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.499 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.457 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 113.73 29.8 2.77 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.831 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.5 mm -65.91 146.1 13.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.489 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 10.6 t70 -64.25 130.52 44.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.65 72.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.716 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -12.8 61.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 0.0 111.411 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.678 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 13.6 mtpt -119.93 -9.38 9.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 614' ' ' GLU . 8.1 tp -53.51 -45.56 69.76 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -45.18 92.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.339 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.628 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 1.4 tttt -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.678 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.6 m-30 -68.66 -41.7 78.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.964 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.64 -33.62 76.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.586 0.231 . . . . 0.0 111.199 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.462 ' HB3' HG21 ' A' ' 561' ' ' VAL . 0.1 OUTLIER -62.0 -49.44 76.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.067 0.46 . . . . 0.0 110.176 179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.95 78.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.692 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -62.28 -48.32 80.42 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 532' ' ' PHE . 3.2 mm? -61.52 -45.49 94.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.851 0.358 . . . . 0.0 111.827 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.734 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 5.5 m -67.55 -36.04 80.21 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD1' HG13 ' A' ' 566' ' ' VAL . 35.1 t80 -61.75 -41.34 97.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . 0.435 ' HE1' HG23 ' A' ' 603' ' ' ILE . 72.6 t80 -59.93 -38.45 82.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.092 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.745 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -67.78 -45.29 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 567' ' ' SER . 55.1 mt -60.89 -45.91 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.97 0.414 . . . . 0.0 110.184 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.456 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -58.98 -42.65 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.643 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -36.18 75.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.692 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.9 -27.4 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.7 mtt -67.73 -33.12 74.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.555 0.693 . . . . 0.0 109.53 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -5.99 45.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.285 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 1.021 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.1 tp -70.57 128.25 91.24 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.377 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.98 -41.97 15.67 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.547 2.165 . . . . 0.0 111.199 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-O 117.873 -1.061 . . . . 0.0 108.895 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.361 0.601 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -82.39 88.92 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.925 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' B' ' 624' ' ' SER . 1.2 p90 -80.58 136.26 36.22 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.98 134.24 56.9 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.396 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.62 ' HE2' HD21 ' B' ' 631' ' ' LEU . 3.0 m-85 -88.58 136.18 33.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.936 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.15 132.63 51.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.19 101.39 13.67 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-O 121.125 0.488 . . . . 0.0 110.602 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 542' ' ' TYR . 20.1 tp -93.08 137.2 32.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.231 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.809 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -91.19 121.66 33.15 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.559 0.695 . . . . 0.0 111.026 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.617 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 1.3 mm? -119.64 120.91 38.05 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.781 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.663 ' HB2' ' CD1' ' A' ' 530' ' ' TYR . 9.6 p -81.4 155.94 25.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -30.36 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.78 -48.21 60.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 545' ' ' VAL . 7.5 mt-10 -83.19 -29.61 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.336 0.589 . . . . 0.0 111.33 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.617 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 69.9 t80 -54.4 -52.4 61.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.753 ' HA ' HD21 ' B' ' 642' ' ' LEU . 15.1 p -61.39 -35.57 77.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -67.34 -44.86 78.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.637 HG22 ' HE2' ' A' ' 548' ' ' PHE . 30.6 t -71.92 -43.6 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.908 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.5 t -59.35 -50.99 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.264 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.1 mm-40 -68.77 -33.43 73.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.385 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 3.2 t80 -61.1 -50.8 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.42 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.647 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 17.7 mt -71.53 -26.92 62.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.11 80.05 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 24.5 mmt85 -63.39 -48.15 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.378 178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.929 ' HA ' HH12 ' B' ' 557' ' ' ARG . 4.0 mm-40 -66.08 -33.15 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.415 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.483 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.38 -23.21 50.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.586 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.408 ' HE2' HG23 ' B' ' 636' ' ' ILE . 16.1 mttt -86.41 -54.04 4.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.85 124.23 90.59 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.841 ' HD3' ' HG3' ' B' ' 564' ' ' GLN . 18.3 Cg_endo -59.13 125.49 18.27 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.058 1.838 . . . . 0.0 112.013 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . 0.929 HH12 ' HA ' ' B' ' 552' ' ' GLU . 0.0 OUTLIER -150.72 13.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.038 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.47 124.56 21.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.134 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -24.14 15.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.267 0.556 . . . . 0.0 109.545 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' B' ' 625' ' ' LYS . 29.6 t90 -69.14 -42.91 75.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.039 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 2.1 p -129.36 117.51 18.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.95 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.09 95.74 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.959 2.439 . . . . 0.0 111.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.89 -37.28 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.452 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.841 ' HG3' ' HD3' ' B' ' 556' ' ' PRO . 2.9 tm0? -58.57 -43.34 89.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.957 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 581' ' ' ALA . 13.1 p -69.14 -31.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.685 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.3 t -69.12 -41.28 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.635 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -72.13 -17.15 61.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.519 0.676 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.78 -18.7 43.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.721 HG12 ' HD2' ' B' ' 577' ' ' ARG . 13.3 mt -82.61 144.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.198 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -97.61 123.27 52.68 Favored Pre-proline 0 C--N 1.312 -1.023 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 177.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.738 ' HD2' HD13 ' B' ' 570' ' ' LEU . 29.4 Cg_endo -65.98 13.29 0.12 Allowed 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.96 2.44 . . . . 0.0 112.146 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.559 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.7 p -107.91 -8.48 15.94 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.259 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 3.5 mt-10 -92.35 -49.78 5.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.544 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 155.67 175.71 27.0 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.758 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.519 HD11 ' HA ' ' B' ' 597' ' ' TYR . 0.2 OUTLIER -92.61 -12.72 30.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 0.0 110.7 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . 0.477 ' H ' ' HG3' ' B' ' 576' ' ' GLU . 0.0 OUTLIER -56.5 -43.28 79.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.322 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.721 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.22 -37.43 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.079 178.272 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -65.35 -45.75 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.024 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -42.82 97.87 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.204 0.526 . . . . 0.0 109.772 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 74.4 m -65.95 -40.37 91.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.889 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -55.99 -40.96 74.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.718 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.561 HD12 ' HD1' ' B' ' 626' ' ' TYR . 0.6 OUTLIER -92.44 1.9 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.248 -178.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 22.7 mttt 59.59 41.62 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.065 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.427 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -65.36 -70.31 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 117.02 -124.58 6.2 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.288 -0.958 . . . . 0.0 114.241 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -72.46 8.27 1.47 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.427 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 38.1 m-20 -69.62 -24.84 63.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -26.17 63.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.903 0.382 . . . . 0.0 110.548 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -61.43 -34.03 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.298 179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -67.62 -38.8 84.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.29 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.414 ' HZ ' ' CE2' ' B' ' 613' ' ' PHE . 90.8 m-85 -67.56 -38.74 84.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.775 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -61.49 -38.34 86.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.01 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.489 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.802 ' HB2' HG22 ' B' ' 616' ' ' ILE . 18.8 t30 -79.65 -8.51 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.355 0.598 . . . . 0.0 110.82 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 85.32 18.94 59.66 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.986 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.599 HG13 ' HB3' ' B' ' 594' ' ' ASN . 9.5 mt -79.72 -106.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . 0.519 ' HA ' HD11 ' B' ' 575' ' ' LEU . 23.8 p90 51.62 0.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.58 172.99 6.56 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.33 0.586 . . . . 0.0 112.552 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.01 143.72 32.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.119 -178.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 79.51 -39.15 2.12 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.517 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -58.28 -36.44 73.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.527 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -63.68 -45.0 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 0.0 110.366 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.527 ' N ' ' HG2' ' B' ' 602' ' ' MET . 1.0 OUTLIER -69.23 -40.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.15 0.5 . . . . 0.0 109.808 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -63.07 -46.43 87.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.486 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 19.8 mm-40 -64.84 -33.86 76.99 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.803 ' HA ' HD11 ' B' ' 612' ' ' ILE . 74.6 t80 -65.62 -38.77 90.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.425 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.41 -45.31 76.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.712 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -77.54 -37.25 51.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.344 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 2.8 m-70 -102.14 -64.34 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 82.55 -29.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.125 0.89 . . . . 0.0 109.175 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 609' ' ' HIS . 53.2 p-10 -105.34 27.14 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.652 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.2 OUTLIER -54.64 -57.57 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.911 -178.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.59 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -38.55 84.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.137 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -43.15 72.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.609 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.6 pt -70.39 -21.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.71 28.3 4.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.58 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . . . . . . . . . 15.1 mm -66.81 145.63 13.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.31 138.69 57.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.338 . . . . 0.0 110.688 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.93 95.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.429 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -9.12 17.61 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.584 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 20.9 mtpt -119.08 -11.99 9.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.348 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.74 -45.01 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.765 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.401 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -59.61 -41.7 90.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.546 ' HB2' ' CZ3' ' B' ' 560' ' ' TRP . 0.3 OUTLIER -65.4 -40.43 93.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.72 -179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.584 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 25.1 m-85 -66.29 -48.46 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.961 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -64.17 -31.8 73.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.098 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -62.88 -51.47 66.88 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.87 81.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.225 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.479 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -59.21 -49.38 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.899 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.62 HD21 ' HE2' ' B' ' 532' ' ' PHE . 0.6 OUTLIER -61.51 -44.56 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.119 0.485 . . . . 0.0 110.043 179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.431 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 15.5 m -61.27 -46.8 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.511 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.64 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.3 OUTLIER -64.17 -40.5 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.077 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -59.73 -38.92 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.937 0.398 . . . . 0.0 110.324 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.647 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -67.9 -43.41 79.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.395 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' B' ' 633' ' ' PHE . 19.8 mt -62.58 -48.06 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 110.493 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.98 -41.83 88.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.348 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.8 OUTLIER -67.51 -39.6 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.626 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -62.43 -25.94 68.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.313 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.4 mmm -67.57 -34.8 77.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.557 0.694 . . . . 0.0 109.993 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -5.92 43.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.187 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' B' ' 543' ' ' THR . 4.9 tp -73.84 119.65 77.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.657 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.81 -105.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.721 2.281 . . . . 0.0 111.378 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.345 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 120.752 0.311 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . 0.473 ' OD1' ' HB3' ' A' ' 623' ' ' LEU . 23.1 t-20 -148.16 -56.39 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.31 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.461 ' HE2' ' CB ' ' B' ' 538' ' ' SER . 1.3 t80 -133.19 134.16 43.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.151 0.5 . . . . 0.0 111.369 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.36 142.26 46.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.152 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.664 ' HE2' HD21 ' A' ' 631' ' ' LEU . 20.1 m-85 -115.63 157.03 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -145.92 126.6 14.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.937 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.04 106.09 18.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.07 0.462 . . . . 0.0 110.722 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 26.4 tp -92.48 147.55 22.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.721 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.6 121.76 33.56 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.892 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.2 OUTLIER -111.02 144.49 40.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.406 -178.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.749 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -71.28 156.89 39.0 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.864 178.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -52.56 35.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.47 84.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.196 0.522 . . . . 0.0 112.17 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.408 ' CD ' HH22 ' B' ' 635' ' ' ARG . 9.5 mt-10 -79.37 -25.96 42.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.224 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 538' ' ' SER . 71.0 t80 -53.4 -45.97 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.72 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 1.039 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.6 OUTLIER -65.42 -34.53 78.51 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.862 0.363 . . . . 0.0 111.539 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -66.91 -42.83 84.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.507 HG22 HD21 ' B' ' 549' ' ' LEU . 44.3 t -70.31 -42.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.341 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.451 ' HB ' HD21 ' A' ' 642' ' ' LEU . 44.8 t -60.68 -49.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.753 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -63.9 -35.5 80.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.077 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.569 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -61.22 -51.22 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 14.9 mt -68.25 -29.65 68.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.001 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.63 74.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.032 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 22.8 mmt85 -64.53 -49.25 72.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.397 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.425 ' CD ' ' HE ' ' A' ' 557' ' ' ARG . 3.6 mt-10 -68.0 -32.92 73.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.491 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.43 -19.41 56.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.021 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.36 -53.05 4.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.866 0.365 . . . . 0.0 111.155 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 1.7 m -80.83 160.69 65.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.228 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 18.8 Cg_endo -64.28 125.87 15.95 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 N-CA-C 109.146 -1.136 . . . . 0.0 109.146 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.425 ' HE ' ' CD ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -156.04 -41.72 0.08 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.03 0.443 . . . . 0.0 110.469 -177.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -88.87 122.47 32.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -19.78 21.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.867 0.365 . . . . 0.0 111.78 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -89.56 -49.73 6.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.927 0.394 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 628' ' ' GLU . 3.0 p -104.76 129.81 24.28 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.344 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 7.8 Cg_exo -73.45 89.45 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.055 2.503 . . . . 0.0 112.15 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 5.6 p -84.13 -36.25 23.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -56.18 -48.43 76.36 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.16 -28.54 41.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 569' ' ' ILE . 0.9 OUTLIER -70.49 -39.63 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.197 -179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.15 -14.7 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.243 0.544 . . . . 0.0 110.174 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -15.21 57.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.983 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.652 HG12 ' HD2' ' A' ' 577' ' ' ARG . 5.3 mt -86.23 140.84 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.283 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.778 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -88.7 123.82 67.02 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.9 Cg_endo -67.79 15.62 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.532 ' H ' ' C ' ' A' ' 570' ' ' LEU . 48.2 p -107.64 -10.56 15.62 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.722 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.15 -122.62 0.08 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.71 16.02 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.766 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -92.56 -7.9 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.764 0.316 . . . . 0.0 110.29 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -37.09 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.652 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.92 -38.4 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.15 0.5 . . . . 0.0 110.347 178.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.08 -45.27 89.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.844 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -33.75 76.37 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.701 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 47.7 m -64.46 -41.24 96.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.822 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.91 80.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.778 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.465 ' HB ' ' HE3' ' A' ' 625' ' ' LYS . 1.9 pt -94.3 7.03 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.538 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 583' ' ' LYS . 0.0 OUTLIER 59.67 40.14 20.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.52 179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -82.34 -75.45 0.3 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.536 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 75.99 -64.92 2.66 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.933 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -81.26 -15.79 54.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.58 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 9.2 m-20 -69.06 -23.5 64.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.869 0.366 . . . . 0.0 110.912 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.7 OUTLIER -58.51 -26.09 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.468 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -60.04 -33.7 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.275 0.56 . . . . 0.0 110.326 179.08 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.468 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -67.64 -36.3 80.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.346 179.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.641 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 87.8 m-85 -67.56 -43.1 81.45 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.664 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.62 -32.5 69.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.88 -42.98 99.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.225 0.536 . . . . 0.0 110.691 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.714 ' HB2' HG22 ' A' ' 616' ' ' ILE . 21.6 t-20 -79.48 -18.77 51.34 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.239 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 102.91 17.82 17.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.415 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.641 ' HB ' ' HB3' ' A' ' 591' ' ' PHE . 1.7 mt -99.03 105.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.797 0.332 . . . . 0.0 111.382 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.2 19.68 2.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.374 0.607 . . . . 0.0 110.078 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.89 153.16 40.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.15 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.466 ' HG3' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.58 163.63 21.35 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 88.19 -51.1 3.96 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -34.5 78.28 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 630' ' ' PHE . 7.5 ttp -60.4 -37.45 80.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.572 178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 2.1 mt -68.32 -39.89 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.511 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.59 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.43 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 27.6 mm-40 -66.02 -34.72 78.74 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.943 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.939 ' HA ' HD11 ' A' ' 612' ' ' ILE . 91.1 t80 -65.31 -39.12 92.07 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.81 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -50.71 64.28 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.96 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -80.04 -20.88 44.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.601 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 1.9 m-70 -118.33 -66.97 1.02 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 38.3 t30 85.05 -31.13 0.06 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.188 0.93 . . . . 0.0 109.582 -177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -102.6 25.32 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.939 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -51.26 -56.69 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.777 -178.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.407 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.7 m-85 -57.7 -40.84 80.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.367 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -38.3 87.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.21 0.528 . . . . 0.0 110.397 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.17 -42.8 68.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.005 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.714 HG22 ' HB2' ' A' ' 594' ' ' ASN . 41.4 pt -68.97 -23.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.416 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 109.48 30.4 3.58 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.799 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.64 146.85 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.501 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 6.7 t0 -63.8 124.22 20.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 4.7 m -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.975 -178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -6.08 52.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.593 ' HE2' ' OH ' ' A' ' 626' ' ' TYR . 25.0 mtpt -129.92 -2.08 4.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.416 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.614 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.5 tp -53.66 -44.65 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -41.24 89.85 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.465 ' HE3' ' HB ' ' A' ' 582' ' ' ILE . 0.2 OUTLIER -70.93 -37.16 72.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.981 0.42 . . . . 0.0 110.869 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.593 ' OH ' ' HE2' ' A' ' 622' ' ' LYS . 2.0 m-85 -68.26 -46.45 70.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.777 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.417 ' O ' HD23 ' A' ' 631' ' ' LEU . 6.8 m-85 -65.62 -34.8 79.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.799 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.6 OUTLIER -64.98 -50.96 64.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.19 87.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.147 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.742 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.5 OUTLIER -61.58 -46.94 87.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.231 179.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.664 HD21 ' HE2' ' A' ' 532' ' ' PHE . 3.7 mm? -63.51 -44.57 93.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 13.1 m -58.47 -44.57 89.34 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.042 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.4 OUTLIER -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -59.99 -38.45 82.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.069 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 631' ' ' LEU . 5.6 mmt180 -66.87 -45.12 79.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 567' ' ' SER . 11.7 mt -61.67 -47.02 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.29 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.13 -35.69 74.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.693 0.283 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.81 -29.03 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.315 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -31.55 72.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.526 0.679 . . . . 0.0 110.04 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -7.2 36.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.71 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 1.039 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.3 tp -61.23 119.44 45.88 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.566 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.32 60.95 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.973 2.449 . . . . 0.0 111.374 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 1.8 tttm . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.653 -179.181 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.039 0.447 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.16 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.763 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.749 ' CE2' ' HB3' ' A' ' 538' ' ' SER . 0.2 OUTLIER -149.48 110.21 4.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.404 0.621 . . . . 0.0 111.487 -179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 59.1 m -121.9 130.66 53.53 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.657 ' HE1' HD21 ' B' ' 631' ' ' LEU . 55.1 m-85 -88.21 128.89 35.46 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.465 0.65 . . . . 0.0 111.293 -178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -108.04 127.18 53.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.589 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.88 100.79 4.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.176 0.512 . . . . 0.0 110.162 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.422 HD23 HD21 ' B' ' 537' ' ' LEU . 13.0 tp -87.03 138.2 31.7 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.644 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.62 121.54 33.38 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.457 HD11 HG21 ' B' ' 545' ' ' VAL . 0.4 OUTLIER -120.6 129.82 53.91 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.461 ' CB ' ' HE2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -83.38 158.05 22.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 176.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -47.97 50.75 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.58 -45.99 67.38 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -68.48 -31.33 70.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.059 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.448 ' HD1' ' CB ' ' B' ' 537' ' ' LEU . 75.7 t80 -58.6 -52.85 63.9 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.144 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.79 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.6 OUTLIER -64.45 -34.31 77.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -65.98 -44.63 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.753 179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.457 HG21 HD11 ' B' ' 537' ' ' LEU . 45.1 t -69.93 -43.34 79.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.048 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.9 t -59.77 -49.48 83.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.147 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.2 OUTLIER -69.14 -35.92 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.727 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.608 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.0 OUTLIER -57.87 -50.9 71.75 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.665 0.269 . . . . 0.0 111.167 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.608 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 8.1 mt -71.15 -29.3 65.05 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.921 0.391 . . . . 0.0 110.665 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.37 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.049 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.712 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.9 mmt85 -64.54 -46.88 80.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.68 -33.13 74.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.258 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -78.87 -23.54 44.83 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.46 -53.38 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.061 0.458 . . . . 0.0 111.178 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.07 157.43 45.61 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.31 126.41 22.43 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 121.091 1.194 . . . . 0.0 109.233 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -36.04 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.082 0.467 . . . . 0.0 110.307 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.78 134.53 34.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.76 -36.07 11.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.152 0.501 . . . . 0.0 111.168 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.403 ' HZ3' ' HA ' ' B' ' 625' ' ' LYS . 1.6 t90 -77.4 -77.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.467 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.545 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.1 p -80.52 128.08 73.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.333 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 8.8 Cg_exo -72.56 82.62 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.476 . . . . 0.0 112.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 1.9 p -79.41 -27.34 41.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.567 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -38.9 73.27 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.616 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.668 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -83.32 -27.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -66.67 -41.61 88.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.796 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.1 p -74.13 -19.01 60.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.549 0.69 . . . . 0.0 109.56 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -77.92 -19.21 55.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.826 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' B' ' 566' ' ' VAL . 15.1 mt -78.95 135.43 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.764 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.5 OUTLIER -79.92 121.89 82.66 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.228 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.604 ' HD2' HD13 ' B' ' 570' ' ' LEU . 38.2 Cg_endo -68.59 21.03 0.14 Allowed 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 123.197 2.598 . . . . 0.0 112.205 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.543 ' H ' ' C ' ' B' ' 570' ' ' LEU . 68.6 p -108.92 -8.02 15.33 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.739 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -93.77 -124.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.179 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -136.71 173.83 21.89 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.903 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -75.32 -6.54 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.586 0.232 . . . . 0.0 111.138 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -41.19 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.126 0.488 . . . . 0.0 110.224 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.621 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.99 -37.58 81.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.853 179.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -64.48 -47.56 78.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.209 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -40.66 94.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.214 0.53 . . . . 0.0 109.704 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 67.5 m -63.97 -44.41 92.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.066 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.668 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.19 -40.16 76.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.463 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' B' ' 626' ' ' TYR . 1.1 pt -92.87 6.25 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.128 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 56.67 41.64 28.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.493 0.663 . . . . 0.0 110.021 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.453 ' HB2' ' HE1' ' B' ' 626' ' ' TYR . . . -65.96 -61.86 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.309 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 122.26 -119.54 4.02 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 26.27 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.999 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.57 -22.51 65.26 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.103 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.541 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.92 -25.07 56.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.36 179.251 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.6 OUTLIER -60.79 -33.44 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 121.327 0.584 . . . . 0.0 109.611 178.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 0.8 OUTLIER -71.29 -41.06 70.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.353 179.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.541 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 96.8 m-85 -66.45 -40.71 89.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.753 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.84 -37.74 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.441 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.62 91.85 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.193 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.822 ' HB2' HG22 ' B' ' 616' ' ' ILE . 5.1 t-20 -83.87 -13.15 54.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.77 49.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' B' ' 575' ' ' LEU . 6.4 mt -94.6 94.85 4.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.746 0.308 . . . . 0.0 110.422 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.76 21.52 3.57 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.123 0.487 . . . . 0.0 110.357 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.05 147.52 50.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.351 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.494 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.68 148.19 28.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 87.51 -50.93 4.11 Favored Glycine 0 C--N 1.315 -0.632 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 -177.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -40.34 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.13 -39.48 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.67 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.51 -39.45 82.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.543 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -61.72 -39.93 93.27 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 36.4 mm-40 -64.8 -36.31 83.91 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.613 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.691 ' HA ' HD11 ' B' ' 612' ' ' ILE . 12.7 t80 -62.28 -45.33 93.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.74 -44.36 90.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.008 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -79.8 -18.34 51.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 0.6 OUTLIER -112.88 -59.25 2.04 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.388 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 7.3 t30 80.41 -33.02 0.12 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.702 0.801 . . . . 0.0 110.446 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -109.16 26.7 10.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.2 OUTLIER -52.5 -59.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 113.063 -178.283 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.7 m-85 -58.38 -38.48 77.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.911 0.386 . . . . 0.0 111.142 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.99 -37.09 81.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.269 0.557 . . . . 0.0 110.289 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 615' ' ' ARG . 0.0 OUTLIER -69.68 -41.36 75.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.55 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.822 HG22 ' HB2' ' B' ' 594' ' ' ASN . 36.7 pt -72.27 -23.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.45 30.35 3.35 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.97 -1.109 . . . . 0.0 113.454 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 616' ' ' ILE . 17.2 mm -69.38 142.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.58 128.31 35.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -62.47 -27.93 69.47 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.109 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -9.73 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -120.59 -10.77 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.122 0.486 . . . . 0.0 110.443 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 6.1 tp -53.89 -44.01 70.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.626 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.15 -46.71 87.65 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.287 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.403 ' HA ' ' HZ3' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -64.3 -35.92 82.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.139 0.495 . . . . 0.0 110.801 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.661 ' HD1' HD12 ' B' ' 582' ' ' ILE . 19.9 m-85 -67.14 -51.13 57.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.476 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 530' ' ' TYR . 12.3 m-85 -64.75 -32.59 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.634 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.545 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.3 OUTLIER -61.95 -50.32 72.61 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.426 0.632 . . . . 0.0 109.624 178.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' B' ' 561' ' ' VAL . . . -67.94 -39.08 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.235 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -57.72 -49.58 76.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.911 179.521 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.657 HD21 ' HE1' ' B' ' 532' ' ' PHE . 3.1 mm? -64.34 -42.98 95.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.094 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 66.7 m -60.11 -46.64 88.95 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.799 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.484 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.4 OUTLIER -64.43 -41.64 96.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.489 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -59.95 -41.98 93.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.062 0.458 . . . . 0.0 109.915 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.621 ' NH1' ' HB3' ' B' ' 631' ' ' LEU . 0.7 OUTLIER -61.87 -45.24 94.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.796 HD13 ' HB3' ' B' ' 567' ' ' SER . 21.7 mt -64.25 -46.62 92.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.68 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.23 -45.23 84.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.38 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.03 -37.13 67.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.55 -24.77 66.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.35 -39.75 92.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.621 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -92.76 -5.22 51.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.068 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.79 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.1 tp -62.12 117.29 28.29 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.438 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -85.94 59.18 4.62 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.025 2.483 . . . . 0.0 112.402 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.527 ' HD2' ' HB ' ' B' ' 543' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.772 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.955 0.883 . . . . 0.0 108.81 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -150.85 153.0 34.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.665 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.35 122.98 20.01 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.513 0.673 . . . . 0.0 109.974 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.8 148.39 51.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.722 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.682 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 8.4 m-30 -96.2 133.94 39.89 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.714 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -122.55 145.06 48.68 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.122 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.11 111.17 19.08 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.326 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' B' ' 542' ' ' TYR . 26.5 tp -95.97 137.87 34.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.54 120.36 32.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.181 0.515 . . . . 0.0 110.77 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.8 OUTLIER -122.86 124.46 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.404 179.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 97.7 p -77.06 156.79 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.634 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -59.24 -27.31 65.66 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.81 -47.88 61.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.927 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.1 OUTLIER -83.33 -29.62 28.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 111.068 179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 546' ' ' VAL . 83.1 t80 -53.82 -43.98 69.84 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.418 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.795 HG22 ' HG ' ' A' ' 642' ' ' LEU . 6.7 p -68.31 -35.16 77.39 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.536 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.57 84.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.992 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.765 HG22 ' HE2' ' B' ' 548' ' ' PHE . 21.8 t -70.86 -42.64 77.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.693 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 542' ' ' TYR . 41.6 t -60.91 -49.1 86.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.361 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.4 OUTLIER -68.51 -34.65 76.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.197 -179.051 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.611 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 8.2 t80 -60.87 -51.84 67.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.24 0.543 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 7.9 mt -72.26 -25.85 61.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.563 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.0 76.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.5 mmt-85 -68.79 -39.5 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.529 178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.8 -36.1 79.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.696 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.87 -32.0 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.448 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 567' ' ' SER . 27.8 mtmt -72.93 -60.25 2.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.099 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.414 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 19.6 t -80.66 120.42 79.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 1.4 Cg_endo -44.28 126.47 6.57 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 113.531 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.59 9.97 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -112.99 140.99 47.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -73.1 0.27 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.418 ' HZ3' ' HA ' ' A' ' 625' ' ' LYS . 0.4 OUTLIER -73.07 -42.76 62.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.335 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.6 p -90.42 120.92 68.97 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 121.094 0.473 . . . . 0.0 111.675 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.488 ' HG2' ' O ' ' A' ' 581' ' ' ALA . 10.0 Cg_exo -72.37 98.39 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.204 2.603 . . . . 0.0 111.224 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -30.68 30.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.68 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.73 -49.07 76.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.134 -178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.38 -31.36 38.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.266 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.754 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -68.98 -39.73 80.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.681 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 554' ' ' LYS . 2.3 p -75.27 -14.06 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.208 0.528 . . . . 0.0 110.297 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.61 -21.08 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.925 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -86.63 135.12 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.98 -179.376 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.802 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -81.6 129.59 65.02 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.802 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.1 Cg_endo -66.41 15.45 0.11 Allowed 'Trans proline' 0 N--CA 1.473 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 112.876 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 570' ' ' LEU . 26.1 p -108.1 -0.72 20.95 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.203 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.04 -111.94 0.16 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.401 ' HA2' ' N ' ' A' ' 599' ' ' MET . . . -144.55 -167.72 12.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.716 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.473 ' O ' HD22 ' A' ' 579' ' ' LEU . 0.1 OUTLIER -101.09 -1.46 34.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.911 0.356 . . . . 0.0 110.554 -179.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -47.27 75.94 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.437 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 577' ' ' ARG . 0.0 OUTLIER -68.46 -37.83 80.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.497 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.67 -43.67 98.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -64.25 -41.55 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.342 179.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 83.0 m -61.57 -40.1 93.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.189 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 562' ' ' PRO . . . -56.05 -38.31 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.321 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.41 ' O ' ' HE2' ' A' ' 625' ' ' LYS . 6.5 pt -100.36 5.06 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.735 0.303 . . . . 0.0 111.464 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.59 43.88 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.369 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -117.42 58.29 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.99 80.15 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.599 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -103.39 -25.05 13.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.529 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -74.51 -22.45 59.04 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.089 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.582 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.3 OUTLIER -57.59 -25.9 60.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.885 179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.513 HG12 HD22 ' A' ' 590' ' ' LEU . 1.0 OUTLIER -61.93 -33.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.523 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.513 HD22 HG12 ' A' ' 589' ' ' VAL . 1.4 mm? -64.78 -36.95 85.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.943 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 93.7 m-85 -67.76 -42.49 81.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -56.9 -36.87 70.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.311 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.98 -42.21 90.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.432 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.746 HD22 HD11 ' A' ' 596' ' ' ILE . 45.0 t30 -80.08 -11.63 59.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.584 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.67 22.24 26.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.951 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.746 HD11 HD22 ' A' ' 594' ' ' ASN . 3.7 mt -100.14 98.98 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.921 0.391 . . . . 0.0 110.394 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.13 16.58 3.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.059 0.457 . . . . 0.0 110.749 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 150.4 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.459 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.738 ' SD ' ' HA ' ' A' ' 571' ' ' PRO . 1.3 ttt -82.49 152.35 26.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 91.6 -47.34 2.79 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -62.04 -38.86 90.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.497 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -63.99 -34.13 77.29 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.743 178.375 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.559 HG23 ' HE1' ' A' ' 634' ' ' TYR . 1.3 mt -68.11 -39.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -60.98 -41.5 96.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.393 178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.4 -34.68 78.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.114 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.6 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.2 t80 -64.86 -36.54 84.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.786 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.35 -47.05 87.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.092 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.51 -40.83 28.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.342 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 94.5 m-70 -126.65 128.81 47.32 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.422 -178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.505 HD21 ' HD2' ' A' ' 532' ' ' PHE . 25.6 t-20 -91.09 -11.57 38.22 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.552 0.691 . . . . 0.0 110.474 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.39 33.39 4.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.193 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.4 OUTLIER -53.93 -57.49 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.002 0.43 . . . . 0.0 112.028 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.462 ' CE2' ' HZ ' ' A' ' 591' ' ' PHE . 2.1 m-85 -58.92 -38.9 80.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.283 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.402 ' HG3' ' OH ' ' A' ' 627' ' ' TYR . 13.8 mt-10 -67.94 -36.45 80.15 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.184 0.516 . . . . 0.0 109.887 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -42.1 74.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.51 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.505 HG22 ' HB2' ' A' ' 594' ' ' ASN . 36.2 pt -69.79 -25.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.571 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 109.76 35.52 2.2 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.248 -0.977 . . . . 0.0 113.596 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 591' ' ' PHE . 16.9 mm -67.14 145.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.7 125.37 25.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.533 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.79 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.64 -26.16 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.08 66.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.267 0.556 . . . . 0.0 110.551 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.519 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 29.6 mtmm -122.21 3.43 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.18 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.79 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 15.6 tp -59.87 -43.42 94.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.077 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -48.89 77.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.519 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.55 -33.68 76.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.101 179.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -52.7 63.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.05 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.682 ' HB3' ' HZ ' ' A' ' 532' ' ' PHE . 15.9 m-85 -66.2 -32.46 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.153 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -45.49 78.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.629 0.252 . . . . 0.0 110.505 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.35 77.87 Favored 'General case' 0 CA--C 1.524 -0.034 0 CA-C-O 121.251 0.548 . . . . 0.0 109.817 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.217 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.485 HD11 HD22 ' B' ' 537' ' ' LEU . 0.4 OUTLIER -66.29 -41.14 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.346 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.77 87.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.743 0.306 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.754 ' HD2' HG13 ' A' ' 566' ' ' VAL . 7.0 t80 -63.38 -39.0 93.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.248 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . 0.559 ' HE1' HG23 ' A' ' 603' ' ' ILE . 2.6 t80 -60.12 -38.21 82.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.88 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.2 OUTLIER -67.1 -45.43 77.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.324 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.45 HD11 ' HB1' ' A' ' 553' ' ' ALA . 16.1 mt -64.83 -46.07 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.76 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.519 ' HG2' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.04 -46.96 82.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.272 -179.202 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . 0.496 ' HG3' HD13 ' A' ' 642' ' ' LEU . 5.5 tp10 -69.48 -35.78 75.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.749 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.43 -26.36 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.709 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.9 mtt -64.71 -41.76 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.218 0.532 . . . . 0.0 110.094 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -5.73 39.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.996 -179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 543' ' ' THR . 3.5 tp -63.76 127.72 91.91 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.265 -0.88 . . . . 0.0 113.103 -178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -89.57 64.36 2.29 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.16 2.574 . . . . 0.0 110.804 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' A' ' 644' ' ' LYS . 1.2 tptp . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.649 -0.691 . . . . 0.0 110.929 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.426 ' ND2' HD23 ' B' ' 623' ' ' LEU . 51.2 t30 -90.5 -103.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.634 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 4.4 p90 -167.62 128.21 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.74 141.31 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.651 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.464 ' HE2' HD21 ' B' ' 631' ' ' LEU . 23.0 m-85 -87.05 146.52 26.06 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.143 0.497 . . . . 0.0 110.926 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.89 126.39 51.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.658 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.62 110.1 22.73 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.461 HD13 ' HE1' ' A' ' 542' ' ' TYR . 1.6 tp -106.73 140.31 39.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.335 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.85 121.59 33.6 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.221 0.534 . . . . 0.0 109.57 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.485 HD22 HD11 ' A' ' 631' ' ' LEU . 0.6 OUTLIER -115.37 143.09 45.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.23 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.644 ' HB3' ' HE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -74.43 154.72 38.64 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -36.07 67.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.876 0.762 . . . . 0.0 112.026 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.65 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.064 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.58 -31.53 47.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.318 0.58 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' A' ' 535' ' ' LEU . 83.2 t80 -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.919 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.675 HG22 ' HG ' ' B' ' 642' ' ' LEU . 13.6 p -60.46 -35.67 76.44 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.423 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -44.51 87.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.471 HG22 HD11 ' A' ' 549' ' ' LEU . 93.2 t -70.17 -43.24 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.289 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.99 -50.91 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -65.37 -34.46 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.742 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.765 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.4 t80 -59.36 -48.42 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 14.1 mt -71.6 -32.47 68.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.6 78.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.938 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 0.1 OUTLIER -62.78 -45.92 90.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.361 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.482 ' HA ' ' NH1' ' B' ' 557' ' ' ARG . 2.9 mt-10 -67.5 -32.47 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.91 -27.08 49.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.131 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -80.4 -47.25 14.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.124 0.488 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.611 ' HB ' HH11 ' B' ' 557' ' ' ARG . 58.7 t -84.91 131.21 49.72 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.7 ' HD3' ' HG2' ' B' ' 564' ' ' GLN . 10.1 Cg_endo -53.01 128.11 27.67 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.492 2.128 . . . . 0.0 112.127 -178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . 0.611 HH11 ' HB ' ' B' ' 555' ' ' VAL . 1.3 mpt_? -136.86 -32.74 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.91 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -105.67 151.01 24.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -48.51 4.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.709 -179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -28.92 66.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.699 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.511 HG23 HG22 ' B' ' 582' ' ' ILE . 7.5 p -120.79 96.74 48.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.418 0.627 . . . . 0.0 109.478 178.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.651 ' HB2' HG12 ' B' ' 565' ' ' VAL . 32.4 Cg_exo -58.73 106.91 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.822 2.348 . . . . 0.0 111.758 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -39.76 30.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.663 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.7 ' HG2' ' HD3' ' B' ' 556' ' ' PRO . 1.3 tm0? -58.62 -49.95 75.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.849 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' B' ' 562' ' ' PRO . 11.0 p -65.06 -31.3 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.113 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.74 HG13 ' HD2' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -67.06 -42.87 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.645 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.737 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -73.18 -13.75 61.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.473 0.654 . . . . 0.0 110.08 179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.61 -14.66 54.39 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 4.3 mt -83.57 140.09 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.992 0.425 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.613 HD13 ' HD2' ' B' ' 571' ' ' PRO . 1.1 mm? -90.71 121.48 68.16 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.698 ' HB3' ' HE1' ' B' ' 633' ' ' PHE . 56.2 Cg_endo -69.72 27.89 0.18 Allowed 'Trans proline' 0 CA--C 1.528 0.186 0 C-N-CA 123.229 2.62 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.482 ' H ' ' C ' ' B' ' 570' ' ' LEU . 60.8 p -108.86 -17.78 13.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.66 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.9 -110.95 0.19 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.214 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -128.43 -170.91 12.89 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.569 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.464 HD21 HG22 ' B' ' 596' ' ' ILE . 0.0 OUTLIER -98.74 2.72 47.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.643 0.258 . . . . 0.0 111.155 -178.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -46.75 76.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.073 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -38.37 90.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.372 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -63.42 -46.46 86.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.241 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.447 HD22 ' O ' ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.06 -40.53 96.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.479 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -61.09 -41.77 97.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.305 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.19 81.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.112 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.511 HG22 HG23 ' B' ' 561' ' ' VAL . 5.6 pt -94.97 6.39 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.52 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mttm 60.74 40.91 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.299 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.465 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -117.22 53.4 0.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.449 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -71.89 -6.95 64.9 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 113.961 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -17.16 14.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.504 0.652 . . . . 0.0 110.848 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.465 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 0.5 OUTLIER -73.85 -21.72 60.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.071 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.7 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.1 OUTLIER -57.19 -25.57 59.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.828 179.009 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 590' ' ' LEU . 1.0 OUTLIER -59.14 -33.23 49.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.296 0.569 . . . . 0.0 110.112 179.115 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.517 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -69.56 -35.62 75.56 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.647 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.7 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 95.9 m-85 -67.37 -43.13 82.18 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.634 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.99 -31.52 69.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.058 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.01 95.84 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.686 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' B' ' 616' ' ' ILE . 1.7 t30 -82.68 -10.04 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.39 20.21 35.96 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.185 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.464 HG22 HD21 ' B' ' 575' ' ' LEU . 6.5 mt -98.47 94.65 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 16.06 4.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.381 0.61 . . . . 0.0 109.663 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 149.32 40.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 2.3 mmt -83.17 139.67 33.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 116.13 -53.51 0.62 Allowed Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.56 -35.69 76.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.16 0.505 . . . . 0.0 109.79 178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.85 -43.51 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.008 178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.48 -40.71 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.929 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -63.66 -44.16 94.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.99 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.22 -35.53 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.486 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' B' ' 612' ' ' ILE . 73.6 t80 -62.2 -38.84 90.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.707 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -37.59 80.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.604 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -76.61 -36.31 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.364 0.602 . . . . 0.0 110.568 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -111.37 -134.92 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.614 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 175.49 -38.06 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.719 0.771 . . . . 0.0 109.167 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -99.78 33.47 2.54 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.88 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' B' ' 606' ' ' PHE . 1.1 mp -52.41 -57.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.66 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.422 ' CE2' ' HZ ' ' B' ' 591' ' ' PHE . 2.2 m-85 -60.99 -41.61 96.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.052 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.422 ' CG ' HD21 ' B' ' 623' ' ' LEU . 5.9 mt-10 -62.71 -40.24 96.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 0.0 110.596 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -43.08 73.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.765 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.564 HG22 ' HB2' ' B' ' 594' ' ' ASN . 42.8 pt -66.23 -25.3 35.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . 0.469 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 114.4 27.66 3.29 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.153 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' B' ' 591' ' ' PHE . 16.3 mm -65.91 144.49 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -64.65 121.66 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.067 0.46 . . . . 0.0 110.706 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.711 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.9 OUTLIER -62.14 -24.02 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.53 -179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -15.43 61.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.363 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 8.4 mtmm -117.69 -1.09 11.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 2.6 tp -55.6 -45.35 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.416 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.579 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -61.2 -48.93 79.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.389 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' B' ' 582' ' ' ILE . 0.0 OUTLIER -67.19 -33.69 75.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.384 0.611 . . . . 0.0 109.93 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.454 ' N ' ' HG2' ' B' ' 625' ' ' LYS . 0.2 OUTLIER -64.98 -53.67 42.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.208 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.82 -32.39 73.64 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 624' ' ' SER . 8.5 tp10 -58.75 -51.48 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.83 -44.34 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.148 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.407 ' HE2' HD13 ' B' ' 612' ' ' ILE . 2.4 t80 -57.49 -49.9 74.78 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.195 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 3.9 mm? -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.27 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 75.6 m -60.83 -41.6 96.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.068 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.74 ' HD2' HG13 ' B' ' 566' ' ' VAL . 7.0 t80 -60.83 -46.12 91.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.815 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.76 -39.04 90.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 631' ' ' LEU . 0.1 OUTLIER -64.66 -44.82 89.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.896 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' B' ' 567' ' ' SER . 54.2 mt -62.83 -44.88 99.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.098 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.18 -43.57 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.28 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' B' ' 641' ' ' LYS . 3.9 tp10 -65.62 -36.26 83.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.757 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.56 -26.33 67.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.814 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 16.9 mtt -67.4 -32.04 72.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.581 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -94.97 -8.64 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.858 179.349 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.757 ' HB2' ' HA ' ' B' ' 639' ' ' ALA . 1.5 tp -69.54 122.97 87.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.414 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -82.69 60.02 7.06 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.676 2.251 . . . . 0.0 111.365 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 121.62 0.724 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -87.07 141.77 28.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.438 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.7 -175.51 4.94 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.815 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 133.31 40.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.482 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 7.2 m-85 -92.2 131.7 37.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.25 125.95 50.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 91.57 8.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.107 0.479 . . . . 0.0 109.796 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.34 147.71 22.85 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.183 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.85 122.49 35.29 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.804 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.4 mm? -117.64 130.12 56.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.435 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.557 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -73.27 157.88 36.22 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.196 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.0 OUTLIER -46.97 -55.99 7.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.04 97.28 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.43 -33.63 73.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 0.0 110.259 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' B' ' 535' ' ' LEU . 71.1 t80 -62.84 -51.13 68.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.347 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.928 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -66.22 -34.08 77.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.905 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -64.6 -43.63 93.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.4 ' CG2' HD11 ' B' ' 549' ' ' LEU . 69.9 t -71.34 -43.11 73.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 111.59 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 542' ' ' TYR . 54.4 t -60.79 -49.08 86.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.19 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -68.58 -34.82 76.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.88 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.558 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -59.0 -49.77 76.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.118 0.485 . . . . 0.0 110.695 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.4 mt -71.43 -26.99 62.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.248 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.79 82.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.465 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 16.3 mmt85 -67.95 -42.01 81.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.23 0.538 . . . . 0.0 110.23 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -67.38 -33.88 76.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 632' ' ' SER . . . -77.62 -24.86 49.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.523 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -81.41 -48.36 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.386 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.65 121.79 82.91 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.97 129.42 33.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.825 2.35 . . . . 0.0 112.608 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.72 22.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.877 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -126.19 139.32 53.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.821 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -10.4 10.37 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.569 0.7 . . . . 0.0 109.125 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.485 ' HH2' ' HB2' ' A' ' 624' ' ' SER . 34.8 t90 -92.93 -44.37 8.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.763 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.426 HG11 ' HG2' ' A' ' 628' ' ' GLU . 2.2 p -119.15 130.73 24.68 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.334 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.447 ' HA ' ' OE1' ' A' ' 564' ' ' GLN . 3.3 Cg_exo -77.7 65.6 8.14 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.91 2.406 . . . . 0.0 112.453 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.407 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -72.51 -22.0 61.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 562' ' ' PRO . 0.0 OUTLIER -55.88 -48.56 75.36 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.96 0.409 . . . . 0.0 111.537 -179.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 569' ' ' ILE . 7.5 p -74.62 -25.85 19.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.38 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.742 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -65.53 -42.4 93.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.292 -179.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.606 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.0 OUTLIER -71.17 -16.33 62.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.399 0.619 . . . . 0.0 110.21 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -84.26 -16.97 41.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.606 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 566' ' ' VAL . 15.5 mt -78.31 139.96 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.151 0.5 . . . . 0.0 111.22 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.724 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -95.03 119.93 65.11 Favored Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.414 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.724 ' HD2' HD13 ' A' ' 570' ' ' LEU . 58.5 Cg_endo -70.91 25.71 0.21 Allowed 'Trans proline' 0 N--CA 1.472 0.21 0 C-N-CA 122.993 2.462 . . . . 0.0 112.21 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.798 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 62.8 p -109.16 -16.68 14.04 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.693 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.5 -19.4 19.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 133.67 -147.12 18.92 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.571 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -121.88 3.56 9.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 110.032 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -45.83 77.3 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.746 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -68.38 -36.52 79.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.738 0.304 . . . . 0.0 110.431 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.04 -44.14 91.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.921 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.0 OUTLIER -65.44 -38.94 91.36 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 20.5 m -65.51 -36.86 85.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.881 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.64 77.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.166 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 626' ' ' TYR . 19.6 pt -98.31 5.35 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.751 0.31 . . . . 0.0 111.297 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 40.62 12.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.751 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -112.46 54.29 0.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.251 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -72.89 6.76 11.36 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 114.888 0.715 . . . . 0.0 114.888 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -108.7 -24.23 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.775 0.787 . . . . 0.0 110.562 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.25 -21.57 59.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.142 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.617 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -56.94 -25.42 57.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.228 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.537 HG12 HD22 ' A' ' 590' ' ' LEU . 1.6 p -60.05 -34.13 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-O 121.245 0.545 . . . . 0.0 109.932 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.537 HD22 HG12 ' A' ' 589' ' ' VAL . 1.3 mm? -66.36 -39.31 89.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.807 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 77.3 m-85 -67.7 -42.83 81.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.129 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -40.97 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.208 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.12 96.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.249 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.436 HD22 HD11 ' A' ' 596' ' ' ILE . 7.8 t30 -82.57 -11.25 58.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.167 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.97 16.5 56.02 Favored Glycine 0 CA--C 1.511 -0.168 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.292 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.571 HG22 ' CD2' ' A' ' 575' ' ' LEU . 8.1 mt -93.98 106.4 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.93 0.395 . . . . 0.0 111.457 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -167.38 22.87 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.64 172.45 9.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.58 . . . . 0.0 112.317 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.798 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.22 135.39 35.74 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.883 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 78.91 -28.89 2.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.083 -0.579 . . . . 0.0 111.935 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.0 OUTLIER -64.04 -46.13 85.78 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.747 0.419 . . . . 0.0 110.432 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.131 178.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.482 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.6 mt -68.06 -40.79 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.545 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.06 -44.8 91.87 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.64 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.482 ' HB3' HG12 ' A' ' 612' ' ' ILE . 63.9 mm-40 -61.8 -39.75 92.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.677 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.947 ' HA ' HD11 ' A' ' 612' ' ' ILE . 89.0 t80 -63.73 -42.51 97.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.756 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 603' ' ' ILE . 20.3 mt-10 -70.54 -42.04 71.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -78.2 -28.7 48.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.569 ' O ' ' HB2' ' A' ' 610' ' ' ASN . 5.9 m-70 -122.93 -54.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -176.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 609' ' ' HIS . 35.8 m-80 79.13 -34.79 0.16 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.235 0.614 . . . . 0.0 109.9 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 609' ' ' HIS . 5.1 p-10 -94.5 20.43 8.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.947 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.3 OUTLIER -49.96 -58.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.29 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.465 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.0 m-85 -57.8 -44.11 86.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.989 0.423 . . . . 0.0 111.241 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 623' ' ' LEU . 1.1 mm-40 -63.47 -39.98 95.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.411 0.624 . . . . 0.0 110.467 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -70.47 -42.63 71.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.24 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 39.1 pt -67.31 -26.13 35.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.604 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.417 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.45 36.03 1.82 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.561 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.1 mm -67.44 144.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.802 0.301 . . . . 0.0 110.689 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.12 129.97 41.63 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.7 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -65.2 -26.79 68.29 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -177.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -22.12 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.107 0.479 . . . . 0.0 111.043 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.67 7.77 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.7 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 24.3 tp -61.9 -42.77 99.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.485 ' HB2' ' HH2' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -63.16 -48.25 79.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.4 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.45 -34.14 76.59 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.892 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 582' ' ' ILE . 0.2 OUTLIER -60.88 -52.28 65.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.599 179.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -66.74 -32.35 73.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.837 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG2' HG11 ' A' ' 561' ' ' VAL . 3.5 tp10 -61.89 -49.84 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.199 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.19 81.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.502 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.505 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.8 OUTLIER -61.09 -47.18 87.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.264 -179.186 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 631' ' ' LEU . 0.5 OUTLIER -58.67 -44.15 90.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.074 0.464 . . . . 0.0 110.898 -179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 3.2 m -64.01 -41.33 97.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.327 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.742 ' HD1' HG13 ' A' ' 566' ' ' VAL . 10.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.705 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -61.87 -40.91 97.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.033 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.1 OUTLIER -63.66 -45.37 90.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.219 -179.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.606 HD13 ' HB3' ' A' ' 567' ' ' SER . 38.7 mt -62.78 -46.37 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 110.099 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 637' ' ' GLN . 0.0 OUTLIER -59.41 -44.31 92.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.582 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.446 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -59.2 -29.34 67.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.565 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 4.3 mtm -66.16 -34.93 79.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.663 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.66 -5.55 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.706 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.928 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.6 tp -63.66 123.67 82.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.233 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 19.7 Cg_endo -87.97 -95.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.992 2.461 . . . . 0.0 111.172 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.244 0.793 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.959 0.409 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.827 ' HB3' HD23 ' B' ' 623' ' ' LEU . 17.6 p-10 -96.09 -176.34 3.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.165 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.492 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 1.2 p90 -122.78 173.93 7.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 148.75 30.7 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.71 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -115.61 137.33 52.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . 0.434 ' HD3' ' CD2' ' A' ' 542' ' ' TYR . 5.5 mtp180 -131.23 141.61 50.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.331 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.56 143.14 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.697 0.284 . . . . 0.0 111.388 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.5 tp -133.96 140.45 46.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.84 124.19 36.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.536 0.684 . . . . 0.0 111.533 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -119.66 126.9 52.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.911 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 156.18 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -42.24 63.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.57 91.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.71 -29.37 36.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.768 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.45 ' O ' HG23 ' B' ' 546' ' ' VAL . 68.2 t80 -54.91 -51.59 65.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.297 -0.865 . . . . 0.0 113.047 -176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.713 HG22 ' HG ' ' B' ' 642' ' ' LEU . 9.3 p -62.12 -37.12 83.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.805 0.336 . . . . 0.0 111.735 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -66.38 -44.71 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.464 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.9 t -70.74 -41.49 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.26 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 542' ' ' TYR . 43.6 t -59.79 -50.42 80.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.42 -39.03 93.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.696 -179.489 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.54 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.8 OUTLIER -58.81 -48.82 79.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.3 mt -71.29 -35.65 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.55 83.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.5 mmt180 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.551 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' B' ' 548' ' ' PHE . 24.2 mm-40 -68.38 -32.59 72.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.569 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -76.65 -27.93 55.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.889 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -73.11 -32.68 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 110.614 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 37.8 t -95.35 112.76 59.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.583 ' HB3' ' HB3' ' B' ' 564' ' ' GLN . 20.7 Cg_endo -61.24 126.59 19.74 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.123 1.882 . . . . 0.0 112.857 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 8.59 4.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.187 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -130.65 125.72 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.645 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.85 -14.32 26.25 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.686 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 8.7 t90 -70.33 -52.86 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.869 -1.514 . . . . 0.0 110.345 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.8 p -115.09 123.48 31.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.193 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 16.3 Cg_exo -68.17 85.07 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.11 2.54 . . . . 0.0 112.564 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.95 -19.08 22.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.17 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.583 ' HB3' ' HB3' ' B' ' 556' ' ' PRO . 4.3 pm0 -62.3 -47.59 83.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.807 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.637 HG13 ' HB1' ' B' ' 581' ' ' ALA . 14.5 p -78.72 -26.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.056 0.455 . . . . 0.0 110.648 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.726 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -65.0 -39.43 85.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.431 -179.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.535 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.83 -14.15 62.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.203 0.525 . . . . 0.0 110.793 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -87.87 -15.99 35.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.428 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.855 HG12 ' HD2' ' B' ' 577' ' ' ARG . 25.1 mt -76.24 137.73 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.301 0.572 . . . . 0.0 111.933 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.685 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -93.75 121.26 64.91 Favored Pre-proline 0 C--N 1.316 -0.863 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 177.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.685 ' HD2' HD13 ' B' ' 570' ' ' LEU . 35.1 Cg_endo -66.99 15.43 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.165 0 C-N-CA 122.955 2.437 . . . . 0.0 112.516 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 570' ' ' LEU . 51.5 p -107.87 0.22 21.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.356 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -16.91 15.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.451 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 120.03 -151.07 17.44 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.546 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -115.03 -8.87 12.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.007 0.404 . . . . 0.0 110.735 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.59 74.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.926 0.393 . . . . 0.0 111.461 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.855 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.15 -37.05 83.73 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.152 179.414 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.78 -42.62 90.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.858 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -63.83 -44.4 93.32 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.5 m -62.03 -38.81 90.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.952 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.18 -42.4 77.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.194 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.592 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 4.9 pt -96.15 6.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.951 0.405 . . . . 0.0 110.674 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.87 41.78 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.715 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -111.88 54.06 0.71 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.182 0.515 . . . . 0.0 110.915 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.94 4.08 Favored Glycine 0 N--CA 1.454 -0.164 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.033 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -166.11 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.908 0.861 . . . . 0.0 108.868 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -21.07 60.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.073 -1.421 . . . . 0.0 110.165 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.89 -26.05 58.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.818 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.51 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.3 -33.44 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.301 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.51 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.71 -35.64 80.6 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.85 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.595 ' CD1' ' HA ' ' B' ' 588' ' ' SER . 88.2 m-85 -67.44 -44.34 78.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.571 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.28 -35.29 73.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.206 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.87 83.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.437 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.624 ' HB2' HG22 ' B' ' 616' ' ' ILE . 28.8 t30 -86.55 -8.07 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.57 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.3 21.58 31.99 Favored Glycine 0 C--O 1.229 -0.159 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.387 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.611 HD11 HD22 ' B' ' 594' ' ' ASN . 5.3 mt -104.98 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.62 17.46 1.48 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.888 0.375 . . . . 0.0 110.587 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.96 172.55 8.86 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 5.9 ptp -81.08 134.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.341 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 83.24 -28.19 3.83 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.47 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -42.14 81.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.903 0.382 . . . . 0.0 110.554 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -38.79 90.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -68.14 -40.52 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.198 0.523 . . . . 0.0 109.693 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -47.05 87.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.271 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.409 ' HB3' HG21 ' B' ' 612' ' ' ILE . 4.6 mm-40 -64.27 -35.55 81.21 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.039 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.601 ' HA ' HD11 ' B' ' 612' ' ' ILE . 19.7 t80 -66.77 -36.55 82.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 110.502 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -43.46 79.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.397 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -77.19 -40.42 45.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.381 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.78 144.84 51.24 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -1.85 20.98 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.775 0.797 . . . . 0.0 109.312 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -114.07 27.25 9.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.727 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -52.55 -60.73 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.932 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.511 ' HE2' ' CD1' ' B' ' 626' ' ' TYR . 2.2 m-85 -57.89 -38.59 76.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.201 -178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -38.93 89.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.151 0.501 . . . . 0.0 110.299 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -69.88 -41.99 74.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.927 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.624 HG22 ' HB2' ' B' ' 594' ' ' ASN . 37.7 pt -69.78 -24.41 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.85 29.24 3.38 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.146 -1.026 . . . . 0.0 113.603 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.8 mm -67.53 143.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.92 0.36 . . . . 0.0 110.166 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.818 ' HB3' ' HD2' ' B' ' 622' ' ' LYS . 15.5 t0 -66.84 124.77 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.2 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.798 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -59.31 -28.64 66.97 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -17.97 65.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.462 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.818 ' HD2' ' HB3' ' B' ' 619' ' ' ASP . 2.8 mttt -113.86 -10.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.065 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.827 HD23 ' HB3' ' B' ' 529' ' ' ASN . 12.4 tp -54.49 -45.11 73.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.748 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.686 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.52 -47.76 82.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.947 0.403 . . . . 0.0 111.265 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -34.61 77.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.434 0.635 . . . . 0.0 109.787 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.511 ' CD1' ' HE2' ' B' ' 613' ' ' PHE . 0.5 OUTLIER -62.33 -52.54 63.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.815 179.338 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -65.68 -32.57 74.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.446 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.1 tp10 -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.61 -39.65 84.72 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.503 179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.727 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.9 OUTLIER -60.72 -49.93 75.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.116 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.557 ' HG ' ' OG ' ' A' ' 538' ' ' SER . 1.7 mm? -65.52 -44.66 86.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.864 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 635' ' ' ARG . 19.3 m -63.84 -36.07 82.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.726 ' HD1' HG13 ' B' ' 566' ' ' VAL . 16.8 t80 -60.03 -42.04 93.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.668 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.64 -41.39 94.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' B' ' 549' ' ' LEU . 0.0 OUTLIER -62.75 -46.09 89.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.448 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.535 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.4 mt -66.07 -45.04 91.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.376 179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.497 HE21 ' HB3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.24 -47.03 84.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.151 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.563 ' HA ' ' HE3' ' B' ' 641' ' ' LYS . 7.5 tp10 -63.58 -37.49 87.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.0 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.54 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.05 -27.41 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.027 0.441 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -28.71 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.431 0.634 . . . . 0.0 109.768 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -95.25 -6.39 41.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.665 -179.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.713 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.8 OUTLIER -69.3 117.06 48.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.004 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.81 -9.08 11.04 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.729 2.286 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.416 ' HG3' HG21 ' B' ' 543' ' ' THR . 4.9 mttp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.054 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.227 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.8 157.24 36.29 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 627' ' ' TYR . 0.2 OUTLIER -122.69 124.62 43.83 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.534 -0.467 . . . . 0.0 110.91 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 1.9 m -71.33 138.23 49.09 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.845 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 631' ' ' LEU . 50.3 m-85 -88.44 140.61 29.29 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.249 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.41 126.67 28.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.645 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . 0.54 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -81.7 115.98 21.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.959 0.409 . . . . 0.0 109.935 178.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.89 150.12 25.12 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.71 122.36 32.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 0.0 109.937 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.0 mm? -118.45 134.79 54.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.602 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.516 ' OG ' ' HG ' ' B' ' 631' ' ' LEU . 0.8 OUTLIER -83.0 158.43 22.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -43.21 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.36 78.11 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' B' ' 635' ' ' ARG . 0.0 OUTLIER -80.6 -30.39 36.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.258 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 546' ' ' VAL . 74.7 t80 -55.7 -51.52 67.02 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.55 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.94 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -67.14 -33.66 75.91 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.214 0.53 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -44.24 84.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.998 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' B' ' 549' ' ' LEU . 83.8 t -70.97 -44.89 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.229 0.538 . . . . 0.0 111.771 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 542' ' ' TYR . 59.1 t -59.46 -49.5 83.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.082 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.3 OUTLIER -68.85 -34.14 74.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.237 -179.364 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.595 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -59.42 -50.76 72.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.179 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.595 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 10.3 mt -71.86 -27.62 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.45 -33.24 75.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 37.3 mmt-85 -63.28 -48.39 78.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.909 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 557' ' ' ARG . 14.8 mt-10 -65.86 -32.15 73.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.521 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -76.65 -24.55 53.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.052 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.545 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.9 mtmt -95.28 -55.96 2.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.323 0.582 . . . . 0.0 109.965 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.92 127.27 43.71 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.3 124.79 8.17 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.517 2.145 . . . . 0.0 112.736 -178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 552' ' ' GLU . 1.3 mtt180 -163.06 16.27 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.342 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -100.56 150.76 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -19.27 54.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.108 0.48 . . . . 0.0 109.928 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 625' ' ' LYS . 3.1 t90 -154.95 148.25 25.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.523 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.491 HG23 ' CZ3' ' A' ' 560' ' ' TRP . 0.5 OUTLIER 81.08 135.6 0.04 OUTLIER Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 112.402 178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.461 ' HD2' HG22 ' A' ' 561' ' ' VAL . 78.0 Cg_endo -85.23 98.73 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.052 2.501 . . . . 0.0 111.593 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 1.7 p -79.07 -22.32 45.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.22 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.87 -48.21 75.96 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.75 -30.08 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.994 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.787 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -71.13 -38.08 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.475 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.466 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.0 -14.53 62.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.431 0.634 . . . . 0.0 110.059 179.322 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -80.43 -10.69 59.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.407 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.696 HG23 HH11 ' A' ' 577' ' ' ARG . 3.8 mt -92.27 141.58 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.791 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.6 OUTLIER -94.5 127.95 42.03 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.205 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 570' ' ' LEU . 32.4 Cg_endo -67.55 18.96 0.12 Allowed 'Trans proline' 0 N--CA 1.472 0.215 0 C-N-CA 122.856 2.371 . . . . 0.0 112.436 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 570' ' ' LEU . 45.8 p -108.25 -13.28 14.93 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -97.77 -109.64 0.17 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.727 179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . -147.06 158.71 27.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.914 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.548 HD21 HG22 ' A' ' 596' ' ' ILE . 0.1 OUTLIER -68.05 -4.89 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.671 0.388 . . . . 0.0 112.032 -179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 577' ' ' ARG . 0.5 OUTLIER -55.32 -38.25 68.46 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 120.658 0.266 . . . . 0.0 110.356 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.696 HH11 HG23 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.55 -37.52 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 0.0 110.297 178.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.79 -45.48 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.337 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.528 ' O ' HG12 ' A' ' 582' ' ' ILE . 0.3 OUTLIER -66.35 -42.22 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 109.896 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 17.1 m -62.04 -37.17 83.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.473 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.55 -47.46 76.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.26 0.552 . . . . 0.0 111.061 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.82 HD12 ' HD1' ' A' ' 626' ' ' TYR . 0.6 OUTLIER -88.65 8.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.977 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.12 39.97 18.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.273 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 626' ' ' TYR . . . -81.2 -85.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.217 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 78.7 -47.0 2.96 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 121.085 -0.579 . . . . 0.0 114.527 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -79.74 -42.76 23.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.309 0.576 . . . . 0.0 111.814 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.67 -22.35 66.96 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.878 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.535 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.9 OUTLIER -58.17 -25.1 61.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.092 0.473 . . . . 0.0 110.346 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.521 HG12 HD22 ' A' ' 590' ' ' LEU . 1.2 p -60.15 -34.52 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.326 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.521 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -65.25 -36.01 82.81 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.778 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.535 ' HD1' ' HA ' ' A' ' 588' ' ' SER . 92.0 m-85 -68.26 -43.16 78.46 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.822 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -62.93 -40.23 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.7 80.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.407 ' HB3' HG13 ' A' ' 596' ' ' ILE . 22.2 t30 -83.55 -4.8 58.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.208 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 82.86 24.63 52.37 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.227 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.548 HG22 HD21 ' A' ' 575' ' ' LEU . 20.1 mt -89.77 -96.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.691 -0.255 . . . . 0.0 110.524 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.436 ' H ' ' HB ' ' A' ' 596' ' ' ILE . 27.5 p90 54.39 -10.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.578 1.551 . . . . 0.0 115.168 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.0 OUTLIER -112.4 151.13 30.18 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.646 . . . . 0.0 110.501 178.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -82.86 135.43 34.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.987 0.422 . . . . 0.0 110.03 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 119.18 -59.58 0.52 Allowed Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 604' ' ' ARG . 31.3 t70 -61.86 -34.81 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.277 0.56 . . . . 0.0 109.977 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.785 179.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.466 ' N ' ' HG2' ' A' ' 602' ' ' MET . 2.3 mt -68.57 -40.88 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.484 ' HD2' ' OD1' ' A' ' 601' ' ' ASP . 0.0 OUTLIER -62.58 -39.64 94.35 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.944 179.451 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.2 OUTLIER -66.72 -34.07 77.04 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.972 178.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.616 ' HA ' HD11 ' A' ' 612' ' ' ILE . 18.8 t80 -64.94 -42.72 94.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.4 -42.34 92.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 608' ' ' LYS . 0.0 OUTLIER -76.48 -25.2 54.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.328 -179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 4.6 m-70 -117.64 -133.92 0.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 0.0 111.328 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.434 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER 169.97 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 -179.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -109.54 32.18 5.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.892 -1.504 . . . . 0.0 109.953 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -52.44 -54.41 15.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.749 -178.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.2 m-85 -60.92 -42.07 97.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.515 ' HG3' HD11 ' A' ' 623' ' ' LEU . 1.0 OUTLIER -63.56 -40.13 96.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.115 0.483 . . . . 0.0 110.305 179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.58 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 34.3 pt -75.39 -19.51 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.426 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 108.96 27.62 4.79 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.371 -0.918 . . . . 0.0 113.244 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.575 HG22 HD12 ' A' ' 623' ' ' LEU . 11.6 mm -65.98 146.44 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -66.01 121.62 15.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.682 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -65.57 -28.15 68.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -15.02 61.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.274 0.559 . . . . 0.0 110.637 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -120.5 0.71 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.682 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 0.6 OUTLIER -55.7 -45.48 77.84 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.273 -179.151 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -40.12 91.54 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.547 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 560' ' ' TRP . 0.8 OUTLIER -70.03 -38.5 75.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.159 0.505 . . . . 0.0 110.05 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.82 ' HD1' HD12 ' A' ' 582' ' ' ILE . 16.6 m-85 -67.53 -50.98 56.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.312 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.555 ' HB3' ' HE1' ' A' ' 530' ' ' TYR . 15.9 m-85 -65.35 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -58.74 -50.82 72.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.525 0.678 . . . . 0.0 110.103 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.68 80.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.857 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.56 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.7 OUTLIER -55.82 -49.84 72.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.734 -179.048 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.722 ' O ' ' HD2' ' A' ' 635' ' ' ARG . 1.9 mm? -62.11 -44.77 95.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 5.0 m -55.7 -42.05 74.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.388 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.787 ' HD1' HG13 ' A' ' 566' ' ' VAL . 5.4 t80 -62.58 -44.04 97.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.983 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.49 -39.96 92.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.722 ' HD2' ' O ' ' A' ' 631' ' ' LEU . 0.0 OUTLIER -63.95 -45.64 88.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.545 HG23 ' HE2' ' A' ' 554' ' ' LYS . 34.2 mt -62.41 -47.22 94.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.433 . . . . 0.0 110.685 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -57.26 -46.71 82.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.233 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -37.41 86.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.894 0.378 . . . . 0.0 110.542 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -65.93 -29.04 69.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.305 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.8 mtm -70.12 -30.7 67.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.169 0.509 . . . . 0.0 109.782 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 637' ' ' GLN . 0.1 OUTLIER -95.41 -4.76 44.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.712 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.9 tp -56.21 131.02 75.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.482 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.13 53.14 3.71 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.097 2.531 . . . . 0.0 112.202 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.714 -179.454 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . 0.685 ' HB ' ' HB3' ' B' ' 624' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.213 0.53 . . . . 0.0 112.145 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.456 HD22 ' CD2' ' B' ' 623' ' ' LEU . 19.0 t-20 -96.08 82.43 3.49 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -91.96 161.3 14.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.096 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.96 142.94 28.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.947 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.84 138.9 31.05 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.982 0.42 . . . . 0.0 110.121 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.25 126.44 54.17 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.669 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.38 117.75 28.54 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.419 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.14 142.5 34.81 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -90.92 119.32 31.02 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.329 0.585 . . . . 0.0 110.247 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.3 OUTLIER -121.45 135.19 55.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.277 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.47 156.47 20.8 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -40.85 77.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.73 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -80.62 -26.27 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 111.23 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' B' ' 537' ' ' LEU . 88.2 t80 -52.3 -47.37 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.296 -177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.943 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.0 OUTLIER -62.44 -39.69 94.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.252 0.549 . . . . 0.0 110.64 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -43.37 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.562 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.06 -43.28 76.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.474 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 642' ' ' LEU . 43.0 t -60.23 -50.74 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.65 -30.73 71.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.773 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.522 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.9 OUTLIER -66.87 -48.15 69.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 13.9 mt -72.28 -30.31 64.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.669 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -60.99 -32.53 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.603 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt-85 -63.15 -47.61 81.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.044 0.45 . . . . 0.0 110.084 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.06 -32.45 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.508 ' O ' ' HB ' ' B' ' 563' ' ' THR . . . -76.7 -31.09 57.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.244 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -75.56 -51.17 13.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 80.4 t -105.92 107.79 60.29 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.36 127.62 9.38 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.449 2.766 . . . . 0.0 114.064 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 20.6 3.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.098 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.84 159.35 19.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.723 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 2.6 m -72.82 -28.31 62.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.179 0.514 . . . . 0.0 110.781 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.558 ' CZ3' HG23 ' B' ' 561' ' ' VAL . 33.0 t90 -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.578 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.558 HG23 ' CZ3' ' B' ' 560' ' ' TRP . 0.4 OUTLIER 80.4 126.1 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 124.176 0.99 . . . . 0.0 112.096 179.02 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 561' ' ' VAL . 71.7 Cg_endo -94.95 81.06 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 123.591 2.86 . . . . 0.0 111.508 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -70.08 -10.88 60.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.502 ' H ' ' HG3' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -58.7 -50.28 74.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -179.234 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 569' ' ' ILE . 7.1 p -71.52 -28.54 31.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.798 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -67.06 -39.76 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.688 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -74.98 -14.36 60.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.252 0.549 . . . . 0.0 110.294 179.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.67 -17.35 48.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.203 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 7.7 mt -77.22 145.96 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.759 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.642 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.4 OUTLIER -93.93 117.84 67.24 Favored Pre-proline 0 C--N 1.318 -0.804 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.642 ' HD2' HD13 ' B' ' 570' ' ' LEU . 43.7 Cg_endo -67.08 18.29 0.11 Allowed 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 123.134 2.556 . . . . 0.0 113.017 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 570' ' ' LEU . 44.7 p -108.33 -10.17 15.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -89.97 0.32 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . -160.74 162.32 33.4 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.548 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.543 ' HA ' ' HE3' ' B' ' 599' ' ' MET . 0.1 OUTLIER -73.18 -3.19 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.848 0.459 . . . . 0.0 111.887 -179.205 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -41.85 72.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.064 0.459 . . . . 0.0 110.852 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.438 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.3 OUTLIER -68.23 -36.99 80.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.13 179.022 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.9 -47.73 82.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.591 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.456 HD12 HD11 ' B' ' 582' ' ' ILE . 0.3 OUTLIER -64.48 -38.33 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 58.0 m -61.78 -41.51 97.81 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.713 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.2 89.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.111 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.516 HD12 ' HD1' ' B' ' 626' ' ' TYR . 3.0 pt -86.88 11.56 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.04 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.39 38.77 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.366 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.603 ' HB1' ' OD2' ' B' ' 587' ' ' ASP . . . -101.94 -107.11 0.25 Allowed 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' B' ' 579' ' ' LEU . . . 88.46 -1.25 83.97 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 114.856 0.703 . . . . 0.0 114.856 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -113.74 -13.46 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.372 1.082 . . . . 0.0 109.254 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.603 ' OD2' ' HB1' ' B' ' 584' ' ' ALA . 0.0 OUTLIER -76.04 -22.81 55.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.244 -1.798 . . . . 0.0 109.757 179.196 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' B' ' 591' ' ' PHE . 0.5 OUTLIER -56.25 -25.72 48.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.485 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.544 HG12 HD22 ' B' ' 590' ' ' LEU . 1.3 p -59.51 -34.04 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.356 0.598 . . . . 0.0 109.815 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.544 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -71.82 -40.28 69.22 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.762 0.792 . . . . 0.0 109.043 179.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' B' ' 596' ' ' ILE . 96.3 m-85 -67.33 -39.69 85.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.506 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 32.6 t30 -62.81 -40.33 97.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.88 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.97 86.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.182 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.413 HD22 HD11 ' B' ' 596' ' ' ILE . 59.6 t30 -82.52 -8.7 59.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 84.74 25.0 43.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.336 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' B' ' 591' ' ' PHE . 19.1 mt -83.37 -89.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.818 -0.191 . . . . 0.0 110.723 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' B' ' 592' ' ' ASN . 20.6 p90 46.42 6.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 151.46 51.87 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.998 -0.439 . . . . 0.0 110.245 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' B' ' 571' ' ' PRO . 0.2 OUTLIER -82.08 142.35 32.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.147 0.499 . . . . 0.0 110.383 -179.146 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 102.04 -45.84 1.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -40.46 96.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.473 ' HG2' ' N ' ' B' ' 603' ' ' ILE . 0.0 OUTLIER -65.99 -35.14 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.682 178.7 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.473 ' N ' ' HG2' ' B' ' 602' ' ' MET . 0.8 OUTLIER -67.11 -39.53 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 -43.26 91.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.396 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 2.8 mm-40 -68.29 -34.17 75.68 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.204 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.608 ' HA ' HD11 ' B' ' 612' ' ' ILE . 9.6 t80 -64.18 -41.68 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.11 -46.28 88.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' B' ' 605' ' ' GLU . 0.4 OUTLIER -78.27 -17.55 56.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.893 -179.288 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 6.5 m-70 -122.51 -140.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.258 0.552 . . . . 0.0 111.157 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.498 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 8.1 p30 175.54 -19.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' B' ' 610' ' ' ASN . 40.0 p-10 -116.05 34.88 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.181 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -55.05 -57.0 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.823 -178.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -58.28 -45.2 88.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.482 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.708 ' HG3' HD11 ' B' ' 623' ' ' LEU . 5.7 mt-10 -59.94 -37.66 80.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.009 0.433 . . . . 0.0 110.55 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -69.8 -41.82 74.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.455 HD11 HG12 ' B' ' 618' ' ' ILE . 35.6 pt -72.56 -9.82 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 97.92 30.61 7.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.377 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' B' ' 613' ' ' PHE . 1.5 mm -65.33 146.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 122.458 0.303 . . . . 0.0 110.469 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.45 120.39 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.74 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.569 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.2 OUTLIER -64.8 -34.67 78.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.447 -178.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -13.21 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.763 ' HB3' ' HE2' ' B' ' 625' ' ' LYS . 23.6 mtmm -133.39 13.17 4.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.904 0.383 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.708 HD11 ' HG3' ' B' ' 614' ' ' GLU . 8.3 tp -56.02 -44.02 78.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.852 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.685 ' HB3' ' HB ' ' B' ' 528' ' ' THR . 0.0 OUTLIER -60.81 -40.62 93.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.163 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.763 ' HE2' ' HB3' ' B' ' 622' ' ' LYS . 1.9 ttpt -62.69 -40.31 96.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.69 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 30.3 m-85 -67.82 -51.29 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.987 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -63.79 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.667 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -53.12 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.427 0.632 . . . . 0.0 109.564 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.64 69.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.51 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.555 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.7 t80 -55.4 -50.86 68.65 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.555 HD12 ' NH2' ' B' ' 635' ' ' ARG . 3.1 mm? -66.75 -42.27 86.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 -178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 19.7 m -61.65 -39.38 91.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.378 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.798 ' HD1' HG13 ' B' ' 566' ' ' VAL . 42.3 t80 -61.97 -45.89 91.66 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.31 -38.12 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.361 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.555 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.4 OUTLIER -62.71 -45.64 91.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.125 179.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' B' ' 567' ' ' SER . 20.5 mt -64.68 -47.61 88.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' B' ' 571' ' ' PRO . 4.9 tt0 -56.9 -41.85 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.064 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.9 -42.68 89.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.054 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.676 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -59.68 -27.12 66.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.958 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -68.52 -34.84 76.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.206 0.527 . . . . 0.0 110.006 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -94.72 -6.67 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.152 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.943 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.1 tp -68.35 129.57 92.74 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.7 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -87.4 41.5 0.72 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.024 2.483 . . . . 0.0 111.637 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.766 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.528 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . 0.496 ' HB2' HD23 ' A' ' 623' ' ' LEU . 63.8 t30 59.09 -120.68 1.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.592 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.1 p90 -161.84 164.19 28.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.911 0.386 . . . . 0.0 110.471 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.35 124.16 27.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.539 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 627' ' ' TYR . 14.0 m-85 -90.4 131.88 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.01 132.12 54.35 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.755 0.312 . . . . 0.0 111.39 -178.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 112.38 19.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' B' ' 542' ' ' TYR . 19.4 tp -96.04 140.15 31.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.528 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.86 121.8 33.8 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 537' ' ' LEU . 1.2 mm? -119.36 120.11 35.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.394 -178.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.52 157.98 31.62 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -39.33 35.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.752 0.705 . . . . 0.0 112.36 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.94 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -31.32 50.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.063 0.459 . . . . 0.0 111.244 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.619 ' HE1' HD13 ' B' ' 535' ' ' LEU . 75.9 t80 -57.01 -50.8 71.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.899 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.764 HG22 ' HG ' ' A' ' 642' ' ' LEU . 0.7 OUTLIER -64.83 -36.36 84.07 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.941 0.401 . . . . 0.0 111.806 -178.237 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -65.93 -41.77 90.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 537' ' ' LEU . 42.0 t -71.48 -42.26 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.154 0.502 . . . . 0.0 111.444 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 635' ' ' ARG . 41.5 t -60.43 -50.89 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.201 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.8 OUTLIER -68.8 -32.54 72.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.195 -178.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.543 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.7 t80 -59.82 -50.28 74.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 110.632 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.683 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 15.0 mt -71.19 -27.19 63.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.726 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.93 -33.88 77.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.078 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 3.9 mmt-85 -62.6 -48.44 79.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 0.0 110.245 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.639 ' HA ' ' HD2' ' A' ' 557' ' ' ARG . 12.4 mt-10 -67.72 -32.91 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.463 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.01 -37.78 46.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.098 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 636' ' ' ILE . 17.9 mttt -76.9 -55.5 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 0.0 110.22 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 76.9 t -94.34 123.85 57.4 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.674 ' HG3' ' HB3' ' A' ' 564' ' ' GLN . 82.2 Cg_exo -44.86 126.93 7.88 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.592 2.195 . . . . 0.0 112.832 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -131.39 -51.58 1.01 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.486 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -122.53 128.34 50.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.321 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.74 14.95 1.51 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.88 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -43.68 98.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 110.025 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.54 153.93 79.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.727 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.06 60.66 6.26 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.97 2.447 . . . . 0.0 111.579 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.501 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -66.7 -28.56 68.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.143 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.674 ' HB3' ' HG3' ' A' ' 556' ' ' PRO . 0.1 OUTLIER -55.44 -39.77 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 111.655 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 569' ' ' ILE . 11.4 p -89.57 -27.42 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.005 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.723 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -65.33 -40.9 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.562 ' HB3' HD13 ' A' ' 636' ' ' ILE . 1.1 p -72.45 -15.06 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -80.94 -10.77 59.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.577 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.789 HG12 ' HD2' ' A' ' 577' ' ' ARG . 1.6 mt -97.11 145.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.582 0.706 . . . . 0.0 112.244 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.657 HD13 ' HD2' ' A' ' 571' ' ' PRO . 1.0 OUTLIER -107.25 126.11 30.85 Favored Pre-proline 0 N--CA 1.44 -0.944 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.264 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 570' ' ' LEU . 48.2 Cg_endo -66.25 0.74 3.02 Favored 'Trans proline' 0 CA--C 1.521 -0.148 0 C-N-CA 122.634 2.223 . . . . 0.0 111.857 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 69.9 p -80.58 -16.65 53.63 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.861 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -101.33 9.72 41.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.016 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 108.65 -156.29 15.76 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.154 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.0 OUTLIER -124.04 -8.49 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.726 0.298 . . . . 0.0 110.699 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -39.37 68.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.633 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.789 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.78 -37.53 84.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.793 0.33 . . . . 0.0 110.788 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.52 -42.73 86.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.083 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.674 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -62.67 -44.12 97.06 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.01 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 18.0 m -60.83 -36.25 78.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.97 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.364 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . . . . . . . . . 9.2 pt -96.86 8.23 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.992 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 65.02 39.18 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.444 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.674 ' HB3' HD12 ' A' ' 579' ' ' LEU . . . -109.42 47.19 0.94 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -63.39 -16.84 58.87 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 114.049 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.34 -15.23 16.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.336 0.568 . . . . 0.0 110.809 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.579 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 1.2 m-20 -75.37 -24.05 57.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.973 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.506 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.08 -24.93 60.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.203 0.525 . . . . 0.0 110.116 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -59.22 -33.82 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.263 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' A' ' 589' ' ' VAL . 0.9 OUTLIER -67.31 -38.76 85.47 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.362 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 588' ' ' SER . 58.2 m-85 -68.03 -42.87 79.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.365 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.38 -40.25 81.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.083 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.54 94.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.167 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.551 ' HB2' HG22 ' A' ' 616' ' ' ILE . 4.1 t30 -80.86 -14.77 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.844 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 92.25 20.4 35.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.175 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.494 HG22 ' CD2' ' A' ' 575' ' ' LEU . 6.9 mt -95.7 104.57 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.78 10.52 0.29 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.282 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.07 172.02 8.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.071 0.462 . . . . 0.0 112.04 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 1.7 ptp -80.89 150.2 29.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.762 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.78 -48.1 3.8 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.82 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -57.34 -45.25 84.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.49 -46.11 91.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.615 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.512 ' HA ' ' OH ' ' A' ' 634' ' ' TYR . 2.1 mp -65.96 -42.0 90.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -40.19 89.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.956 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 8.3 mm-40 -64.81 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.076 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.903 ' HA ' HD11 ' A' ' 612' ' ' ILE . 90.0 t80 -66.53 -38.87 88.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 0.0 110.464 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.17 -44.81 64.76 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -79.39 -26.99 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.1 m-70 -115.37 -49.82 2.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -177.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 81.89 -39.07 0.12 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.775 0.83 . . . . 0.0 111.517 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.31 43.32 1.24 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.508 0.671 . . . . 0.0 110.228 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.5 OUTLIER -56.51 -53.06 45.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.588 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.448 ' HA ' HG12 ' A' ' 616' ' ' ILE . 2.8 m-30 -58.08 -40.21 80.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.488 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -39.71 94.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.297 0.57 . . . . 0.0 110.377 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -42.58 75.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.376 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.551 HG22 ' HB2' ' A' ' 594' ' ' ASN . 50.3 pt -70.4 -22.99 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 114.78 21.51 5.35 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.858 -1.163 . . . . 0.0 114.136 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.38 143.94 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.471 ' HB3' ' HD3' ' A' ' 622' ' ' LYS . 8.2 t70 -65.85 127.91 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.938 0.399 . . . . 0.0 110.597 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.718 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -61.32 -28.44 69.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.457 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -10.46 59.07 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 111.306 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.471 ' HD3' ' HB3' ' A' ' 619' ' ' ASP . 22.7 mtpt -122.79 -4.82 8.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 109.654 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 2.8 tp -54.59 -46.28 73.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.933 -177.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -48.46 81.66 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -63.64 -34.47 77.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.942 0.401 . . . . 0.0 111.18 -179.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.585 ' CE1' ' HD3' ' A' ' 625' ' ' LYS . 2.8 m-30 -68.52 -49.07 62.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.381 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.495 ' CE2' ' HG ' ' A' ' 623' ' ' LEU . 20.6 m-85 -65.6 -32.27 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.96 -51.0 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.887 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.48 76.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.423 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.627 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.0 OUTLIER -58.42 -48.77 79.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.264 -179.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.46 HD11 HD22 ' B' ' 537' ' ' LEU . 0.2 OUTLIER -62.08 -45.11 94.96 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -39.93 89.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.895 0.379 . . . . 0.0 111.029 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.723 ' HD1' HG13 ' A' ' 566' ' ' VAL . 42.6 t80 -59.94 -46.09 90.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.407 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 603' ' ' ILE . 4.4 m-30 -63.66 -37.35 87.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.965 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.683 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -64.86 -44.09 90.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.916 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.765 HD11 ' HB1' ' A' ' 553' ' ' ALA . 13.1 mt -59.26 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.646 ' HG3' ' HG3' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -57.14 -47.06 82.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.82 -179.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . 0.412 ' HG3' HD13 ' A' ' 642' ' ' LEU . 26.1 tp10 -67.11 -38.01 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.078 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.701 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -64.74 -27.02 68.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.495 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 8.4 mtt -68.15 -35.76 78.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.08 0.467 . . . . 0.0 109.854 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -6.6 38.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.649 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.0 tp -64.4 129.5 94.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.593 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.7 141.8 17.56 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.795 2.33 . . . . 0.0 112.081 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.988 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' B' ' 624' ' ' SER . 5.6 t-20 -105.13 -95.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.436 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.479 ' H ' ' HB3' ' B' ' 529' ' ' ASN . 0.5 OUTLIER -154.26 152.25 30.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.041 0.448 . . . . 0.0 111.97 -179.076 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 158.52 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.825 178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 30.7 m-85 -112.16 137.03 50.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.63 135.98 51.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.854 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.61 133.1 33.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.816 0.341 . . . . 0.0 111.497 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.619 HD13 ' HE1' ' A' ' 542' ' ' TYR . 7.7 tp -128.74 143.01 50.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.62 121.88 34.49 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 121.25 0.548 . . . . 0.0 110.951 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.5 OUTLIER -119.77 139.93 51.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.397 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.52 154.73 28.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.592 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.01 -42.94 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -178.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.47 77.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 11.3 mm-40 -80.13 -31.12 39.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.864 0.364 . . . . 0.0 111.29 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 535' ' ' LEU . 85.4 t80 -57.16 -50.8 71.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.672 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.967 HG22 ' HG ' ' B' ' 642' ' ' LEU . 2.2 p -60.93 -35.34 76.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.009 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.84 -45.05 83.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.654 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.5 HG22 ' HE2' ' A' ' 548' ' ' PHE . 43.2 t -70.69 -42.83 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.447 ' HB ' HD21 ' B' ' 642' ' ' LEU . 53.8 t -59.64 -51.19 75.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.911 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.4 mm-40 -70.05 -30.67 67.99 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.01 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -60.38 -49.15 78.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.145 178.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.712 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 14.3 mt -71.21 -31.35 67.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.52 74.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.393 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' B' ' 548' ' ' PHE . 56.9 mmt-85 -59.44 -49.48 77.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.531 178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' B' ' 557' ' ' ARG . 0.0 OUTLIER -68.33 -32.54 72.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.643 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.31 -21.93 52.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.007 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -95.34 -52.23 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.729 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 20.8 t -88.87 130.26 45.48 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -40.2 127.16 2.09 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.88 2.387 . . . . 0.0 112.573 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . 0.477 ' HD2' ' HB3' ' B' ' 552' ' ' GLU . 5.6 ttm180 -164.43 -34.77 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.436 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 123.0 29.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.939 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.59 -17.52 18.61 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.6 ' CH2' ' HB2' ' B' ' 624' ' ' SER . 0.1 OUTLIER -63.94 -46.67 83.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.784 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.568 HG11 ' HB3' ' B' ' 628' ' ' GLU . 2.8 p -151.25 131.9 7.31 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.609 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.05 112.38 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.918 2.412 . . . . 0.0 111.512 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.62 -16.25 14.56 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.45 ' HG3' ' H ' ' B' ' 564' ' ' GLN . 0.0 OUTLIER -55.96 -44.42 78.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 111.5 -179.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.16 -28.07 28.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.784 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.2 t -70.09 -39.02 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.424 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.0 OUTLIER -73.47 -17.55 61.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.426 0.632 . . . . 0.0 109.933 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.23 -21.06 56.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.298 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.62 HG12 ' HB3' ' B' ' 577' ' ' ARG . 17.1 mt -74.7 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.603 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.857 HD12 ' HD2' ' B' ' 571' ' ' PRO . 5.3 tp -86.73 115.41 62.3 Favored Pre-proline 0 N--CA 1.437 -1.11 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.857 ' HD2' HD12 ' B' ' 570' ' ' LEU . 35.7 Cg_endo -65.85 19.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.918 2.412 . . . . 0.0 112.802 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.538 ' H ' ' C ' ' B' ' 570' ' ' LEU . 22.7 p -108.53 -16.13 14.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.056 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -57.79 3.58 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.81 -127.0 1.6 Allowed Glycine 0 N--CA 1.44 -1.075 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.527 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -136.86 -3.05 2.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.717 0.258 . . . . 0.0 111.188 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -55.29 -45.13 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.616 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.62 ' HB3' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -64.55 -36.69 85.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.457 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.19 -42.87 99.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.776 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.2 OUTLIER -66.26 -40.02 89.87 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 76.2 m -62.36 -41.24 98.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.112 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . . . . . . . . . . . -55.75 -40.43 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.567 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . . . . . . . . . 5.9 pt -98.86 4.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.225 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.98 41.82 10.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.298 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -108.03 52.42 0.71 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -80.04 65.7 3.73 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.978 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -168.85 -35.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' B' ' 618' ' ' ILE . 1.3 m-20 -74.13 -21.92 59.67 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.259 -1.337 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.574 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -57.15 -25.85 59.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.875 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.497 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -60.72 -33.42 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.359 179.432 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.497 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.14 -36.3 82.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.783 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.574 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 84.0 m-85 -67.86 -43.01 80.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.345 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.98 -36.5 74.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.075 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.09 99.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.413 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.747 HD22 HD11 ' B' ' 596' ' ' ILE . 54.1 t30 -83.16 -10.26 58.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 111.249 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 90.33 22.9 33.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.087 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.747 HD11 HD22 ' B' ' 594' ' ' ASN . 7.5 mt -98.9 87.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.77 0.319 . . . . 0.0 111.521 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.16 18.03 2.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.286 0.565 . . . . 0.0 109.988 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 171.9 13.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.506 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.707 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.1 OUTLIER -82.18 153.48 25.96 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.246 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.47 -46.66 3.6 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.539 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . 0.52 ' OD1' ' HD3' ' B' ' 604' ' ' ARG . 0.6 OUTLIER -57.01 -41.75 79.08 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 122.671 0.389 . . . . 0.0 111.902 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -47.03 87.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.379 0.609 . . . . 0.0 110.417 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.438 HG23 ' HE1' ' B' ' 634' ' ' TYR . 2.1 mp -67.45 -39.61 82.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.792 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.52 ' HD3' ' OD1' ' B' ' 601' ' ' ASP . 0.0 OUTLIER -60.31 -42.19 95.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.779 178.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.571 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -65.81 -33.06 74.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.71 178.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.879 ' HA ' HD11 ' B' ' 612' ' ' ILE . 70.7 t80 -64.49 -37.22 86.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.358 0.599 . . . . 0.0 109.751 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.186 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -75.64 -41.03 55.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.426 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -120.49 -41.42 2.6 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.62 -38.67 0.32 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.341 0.656 . . . . 0.0 110.794 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.84 35.18 2.25 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.879 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -49.34 -54.52 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-N 114.886 -1.052 . . . . 0.0 112.373 -178.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.01 -43.96 86.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.712 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -66.1 -38.49 88.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.412 0.625 . . . . 0.0 110.163 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -42.75 76.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.659 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' B' ' 594' ' ' ASN . 38.5 pt -70.95 -24.06 24.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . 0.419 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 113.38 29.58 2.92 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.113 -1.041 . . . . 0.0 113.33 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 13.0 mm -66.74 146.51 13.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 18.9 t70 -64.42 121.62 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.118 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.585 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.5 OUTLIER -61.35 -33.51 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -13.1 62.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.097 0.475 . . . . 0.0 110.784 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' B' ' 619' ' ' ASP . 22.9 mtpt -113.55 -4.91 13.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.713 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 1.6 tp -55.33 -44.61 76.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.087 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.673 ' HA ' ' ND2' ' B' ' 529' ' ' ASN . 0.0 OUTLIER -60.51 -48.28 82.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.42 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -34.57 76.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.387 0.613 . . . . 0.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -53.26 52.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.434 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.561 ' HB2' ' ND2' ' B' ' 529' ' ' ASN . 21.3 m-85 -66.41 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.916 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.568 ' HB3' HG11 ' B' ' 561' ' ' VAL . 3.6 tp10 -59.91 -50.86 72.11 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.189 0.519 . . . . 0.0 109.684 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.2 82.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.061 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.423 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -59.74 -48.95 79.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.97 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' B' ' 532' ' ' PHE . 0.5 OUTLIER -57.61 -44.98 85.89 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.261 0.553 . . . . 0.0 110.195 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 6.6 m -62.92 -46.17 89.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.579 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.784 ' HD1' HG13 ' B' ' 566' ' ' VAL . 20.9 t80 -62.99 -40.47 97.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . 0.438 ' HE1' HG23 ' B' ' 603' ' ' ILE . 63.5 t80 -60.26 -39.98 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.172 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.712 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.0 OUTLIER -69.04 -45.45 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.264 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.624 HD11 ' HB1' ' B' ' 553' ' ' ALA . 48.6 mt -60.63 -43.6 95.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.755 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -47.65 81.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.992 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -36.03 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.144 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -63.64 -26.67 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.02 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -30.03 68.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.737 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.5 -5.92 41.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.432 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.967 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.9 OUTLIER -65.05 131.86 95.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.188 -179.612 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.98 69.65 7.38 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.858 2.372 . . . . 0.0 112.009 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.505 ' HB3' ' HE2' ' B' ' 644' ' ' LYS . 8.4 ttpt . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.092 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.881 0.372 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . 0.529 HD22 HD23 ' A' ' 623' ' ' LEU . 8.9 p-10 -67.48 -28.88 68.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.28 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 611' ' ' ASP . 0.1 OUTLIER -123.59 118.05 26.44 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.698 0.761 . . . . 0.0 112.545 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.797 ' HB2' HG23 ' B' ' 539' ' ' THR . 1.5 m -157.95 74.8 0.74 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.373 177.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.406 ' CB ' HD21 ' A' ' 610' ' ' ASN . 10.9 m-85 -97.16 135.54 38.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.263 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -143.68 126.78 16.47 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . 0.635 HG23 HG23 ' B' ' 536' ' ' THR . 0.0 OUTLIER -79.57 100.32 7.73 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.48 HD13 ' HE1' ' B' ' 542' ' ' TYR . 2.5 tp -83.91 145.34 28.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.215 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.41 121.2 32.17 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 542' ' ' TYR . 2.2 mm? -119.57 126.94 52.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.121 -178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 157.16 32.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.499 ' OG1' ' HB2' ' B' ' 531' ' ' SER . 0.0 OUTLIER -52.67 -40.46 62.89 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -178.213 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.62 72.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.497 ' OE2' ' HG ' ' B' ' 631' ' ' LEU . 0.0 OUTLIER -80.62 -27.26 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.571 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.7 t80 -53.99 -46.02 71.6 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.9 HG22 ' HG ' ' A' ' 642' ' ' LEU . 5.4 p -67.22 -34.25 77.08 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.285 0.564 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -44.83 90.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.038 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.495 HG21 HD11 ' A' ' 537' ' ' LEU . 73.6 t -71.84 -43.6 68.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.81 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 542' ' ' TYR . 51.6 t -59.91 -50.37 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.063 -178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.682 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.6 OUTLIER -68.66 -32.78 72.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.113 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.552 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.9 t80 -58.76 -50.77 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.499 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.62 HD13 ' HD3' ' A' ' 635' ' ' ARG . 7.3 mt -72.01 -29.03 63.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.175 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.96 79.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 0.0 OUTLIER -65.72 -44.46 86.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 179.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -33.37 74.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -77.15 -27.45 53.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.112 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.507 ' HE2' HG23 ' A' ' 636' ' ' ILE . 21.0 mttt -84.08 -57.31 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.269 0.557 . . . . 0.0 110.356 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.2 119.58 68.71 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.418 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 564' ' ' GLN . 13.6 Cg_endo -57.11 128.36 29.47 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.447 2.098 . . . . 0.0 112.548 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.88 -32.11 3.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.515 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.64 146.26 52.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.152 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -2.66 52.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -62.51 -34.07 76.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.936 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 2.3 p -132.83 129.06 21.04 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 4.8 Cg_exo -74.43 64.71 5.52 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.978 2.452 . . . . 0.0 112.274 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -30.74 65.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -57.11 -47.79 80.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.498 HG13 ' HB1' ' A' ' 581' ' ' ALA . 14.7 p -73.99 -26.98 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.396 . . . . 0.0 110.116 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.794 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.0 OUTLIER -67.31 -41.63 86.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.631 179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -15.02 60.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 0.0 109.685 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -80.04 -11.74 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.112 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.6 OUTLIER -94.56 142.13 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.434 178.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.706 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.3 OUTLIER -86.04 127.83 60.38 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 177.544 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.706 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.3 Cg_endo -68.01 17.63 0.14 Allowed 'Trans proline' 0 N--CA 1.471 0.16 0 C-N-CA 122.831 2.354 . . . . 0.0 112.553 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.533 ' HA ' ' HG3' ' A' ' 599' ' ' MET . 35.0 p -108.43 -14.25 14.7 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.691 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.27 -61.24 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 163.9 -150.33 18.65 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.587 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.3 OUTLIER -117.43 -11.87 10.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.584 0.23 . . . . 0.0 110.774 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.09 -41.66 75.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.409 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.58 -37.59 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.411 178.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -62.25 -47.01 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.237 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 584' ' ' ALA . 0.2 OUTLIER -62.49 -40.91 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.4 m -61.15 -42.35 98.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.578 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.2 -42.57 77.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.689 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 626' ' ' TYR . 15.9 pt -92.23 8.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.631 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.07 40.83 32.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.962 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -60.48 -62.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.694 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 91.74 -106.7 3.42 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.928 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.99 -12.66 59.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.446 ' HA ' HD23 ' A' ' 590' ' ' LEU . 5.4 m-20 -63.62 -26.42 68.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.131 0.491 . . . . 0.0 110.84 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 591' ' ' PHE . 0.8 OUTLIER -62.16 -26.59 68.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.357 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.421 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -63.88 -33.14 60.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.069 0.461 . . . . 0.0 110.525 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.482 ' HG ' ' C ' ' A' ' 617' ' ' GLY . 1.2 mm? -62.92 -34.35 77.28 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.191 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.548 ' HB3' ' HB ' ' A' ' 596' ' ' ILE . 85.0 m-85 -67.48 -43.09 81.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.821 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.65 -31.02 69.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.376 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.71 92.55 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.737 HD22 HD11 ' A' ' 596' ' ' ILE . 60.9 t30 -81.22 -10.12 59.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.741 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.0 19.03 37.76 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.123 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.737 HD11 HD22 ' A' ' 594' ' ' ASN . 3.6 mt -93.45 92.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 120.763 0.316 . . . . 0.0 111.173 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.17 6.9 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.929 0.395 . . . . 0.0 110.577 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.58 170.67 12.95 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.251 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.533 ' HG3' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -83.0 160.25 22.03 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.69 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.37 -48.38 3.8 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.09 -38.83 84.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.37 0.268 . . . . 0.0 111.692 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.11 -43.18 92.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.594 0.235 . . . . 0.0 110.725 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.7 OUTLIER -68.85 -41.9 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.223 0.535 . . . . 0.0 109.819 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -60.62 -46.55 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 1.3 mm-40 -64.9 -34.65 78.91 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.647 ' HA ' HD11 ' A' ' 612' ' ' ILE . 1.0 OUTLIER -64.26 -45.25 88.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.734 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.5 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.713 -179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -21.55 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.805 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 605' ' ' GLU . 2.2 m-70 -115.92 -133.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.516 . . . . 0.0 111.303 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.475 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 37.8 t30 170.33 -28.79 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.211 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . 0.45 ' HA ' ' OH ' ' A' ' 530' ' ' TYR . 23.3 p-10 -114.08 34.94 4.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.943 -1.48 . . . . 0.0 111.37 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.689 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.7 OUTLIER -53.8 -57.97 4.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 627' ' ' TYR . 3.0 m-85 -58.87 -39.95 82.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 623' ' ' LEU . 0.2 OUTLIER -66.68 -37.09 84.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.51 0.671 . . . . 0.0 110.209 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -42.57 75.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.462 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 594' ' ' ASN . 45.7 pt -70.9 -25.29 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.584 0.23 . . . . 0.0 111.377 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.482 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 110.53 32.59 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.31 -0.948 . . . . 0.0 113.853 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.509 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.8 mm -66.3 144.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 117.096 0.448 . . . . 0.0 110.151 179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -65.3 121.14 14.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 110.202 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.571 ' HA ' ' CB ' ' A' ' 623' ' ' LEU . 0.3 OUTLIER -60.5 -27.67 67.78 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -22.26 66.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.225 0.536 . . . . 0.0 111.101 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 0.3 OUTLIER -125.36 -4.47 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.542 -179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.571 ' CB ' ' HA ' ' A' ' 620' ' ' SER . 1.3 tp -53.69 -45.27 70.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.77 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -43.79 97.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.311 0.577 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.52 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.54 -37.7 85.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.576 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.3 m-30 -61.58 -45.74 92.83 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.885 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 613' ' ' PHE . 15.8 m-85 -65.39 -30.88 71.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.553 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.55 -52.21 64.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.55 78.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.714 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.689 ' HE2' HD13 ' A' ' 612' ' ' ILE . 2.2 t80 -63.71 -50.55 68.72 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 123.168 0.587 . . . . 0.0 112.223 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 635' ' ' ARG . 2.1 mm? -67.1 -45.1 78.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.895 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 71.7 m -59.79 -35.65 75.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.794 ' HD2' HG13 ' A' ' 566' ' ' VAL . 29.6 t80 -62.76 -46.39 88.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -61.29 -38.18 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.62 ' HD3' HD13 ' A' ' 549' ' ' LEU . 35.5 mtt-85 -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.507 HG23 ' HE2' ' A' ' 554' ' ' LYS . 73.5 mt -61.79 -45.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.96 -45.37 90.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.214 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.88 -37.7 88.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.158 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.807 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -61.34 -27.79 68.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.555 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 636' ' ' ILE . 19.4 mtt -68.82 -30.07 68.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.43 0.633 . . . . 0.0 109.513 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 641' ' ' LYS . 0.0 OUTLIER -96.15 -6.07 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.886 178.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.9 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.7 tp -74.37 124.0 89.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.487 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.492 ' HB2' ' H ' ' A' ' 644' ' ' LYS . 2.9 Cg_exo -76.33 -91.48 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.939 2.426 . . . . 0.0 110.551 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.492 ' H ' ' HB2' ' A' ' 643' ' ' PRO . 4.6 tmtm? . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.749 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -81.7 -50.05 9.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.145 0.498 . . . . 0.0 110.475 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' B' ' 611' ' ' ASP . 0.2 OUTLIER -86.78 77.4 9.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.117 0.96 . . . . 0.0 113.324 -177.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . 0.499 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 58.3 m -146.87 77.05 1.45 Allowed 'General case' 0 N--CA 1.43 -1.431 0 CA-C-N 113.975 -1.466 . . . . 0.0 107.152 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.406 ' HE1' HD21 ' B' ' 631' ' ' LEU . 64.9 m-85 -85.71 127.76 34.6 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.931 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.47 127.69 54.8 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.519 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.05 92.96 7.99 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.347 0.594 . . . . 0.0 110.501 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.9 tp -84.02 137.71 33.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.395 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.635 HG23 HG23 ' A' ' 534' ' ' THR . 0.0 OUTLIER -89.43 129.8 35.88 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.316 0.579 . . . . 0.0 110.633 -179.18 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' B' ' 542' ' ' TYR . 2.3 mm? -119.56 130.17 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.109 -178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.84 155.11 17.83 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.797 HG23 ' HB2' ' A' ' 531' ' ' SER . 0.2 OUTLIER -34.41 -53.04 0.5 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -178.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.98 76.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 545' ' ' VAL . 1.3 mt-10 -80.99 -31.21 34.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.006 0.431 . . . . 0.0 110.741 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.514 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.1 t80 -56.01 -53.01 62.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.614 -177.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.744 HG22 ' HG ' ' B' ' 642' ' ' LEU . 1.2 p -63.47 -37.11 86.05 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.165 0.507 . . . . 0.0 110.573 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -46.66 77.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.534 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.52 HG22 ' HE2' ' A' ' 548' ' ' PHE . 60.2 t -71.19 -42.19 75.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.626 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 542' ' ' TYR . 48.9 t -59.3 -49.33 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.576 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 543' ' ' THR . 0.0 OUTLIER -68.01 -40.38 82.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.227 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.529 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 1.9 t80 -57.17 -49.36 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.487 0.184 . . . . 0.0 111.272 -178.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 18.0 mt -71.0 -26.66 63.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.765 0.317 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.88 89.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.072 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -63.41 -40.01 96.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.25 -32.83 74.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.493 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.63 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -78.47 -39.58 38.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.868 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 39.7 mttt -66.8 -59.01 3.92 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.307 0.575 . . . . 0.0 109.486 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . 0.451 ' HA ' ' HD2' ' B' ' 556' ' ' PRO . 47.1 t -96.63 111.29 56.72 Favored Pre-proline 0 N--CA 1.445 -0.712 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.478 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 1.7 Cg_endo -42.38 124.16 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.988 2.459 . . . . 0.0 113.278 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 4.5 mpp_? -144.3 9.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.064 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.44 129.74 56.22 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.117 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' B' ' 560' ' ' TRP . 0.2 OUTLIER -93.8 150.32 20.48 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' B' ' 625' ' ' LYS . 79.0 t90 79.06 -43.32 0.32 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.939 0.775 . . . . 0.0 111.569 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.9 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.6 p -107.26 126.06 30.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.81 137.51 53.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.652 2.235 . . . . 0.0 111.777 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -34.17 2.38 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.478 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 20.9 tt0 -56.07 -47.59 77.69 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.512 ' O ' HG13 ' B' ' 569' ' ' ILE . 10.3 p -67.01 -31.86 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' B' ' 569' ' ' ILE . 0.9 OUTLIER -70.28 -41.27 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.528 0.204 . . . . 0.0 111.516 -178.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.2 p -72.07 -16.52 62.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.451 0.643 . . . . 0.0 110.083 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -80.81 -13.41 58.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.806 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.774 HG12 ' HD2' ' B' ' 577' ' ' ARG . 5.1 mt -90.69 146.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.497 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.691 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -99.11 122.71 51.48 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.225 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.691 ' HD2' HD13 ' B' ' 570' ' ' LEU . 20.6 Cg_endo -65.4 7.75 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.731 2.287 . . . . 0.0 111.88 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 570' ' ' LEU . 40.1 p -104.64 -1.04 26.92 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.32 -67.62 0.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.191 0.52 . . . . 0.0 110.463 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 175.14 168.8 36.19 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.517 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.529 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.4 OUTLIER -86.35 -10.44 54.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.895 0.347 . . . . 0.0 111.321 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -39.72 73.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.39 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.774 ' HD2' HG12 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -67.41 -37.49 83.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 110.536 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.29 -46.79 85.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.241 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -63.39 -40.21 96.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.129 0.49 . . . . 0.0 109.905 179.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 63.7 m -63.33 -41.87 98.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.899 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.434 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -57.12 -38.96 74.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.227 -179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 626' ' ' TYR . 1.9 pt -95.41 5.09 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.615 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.7 42.23 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.743 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -61.7 -49.47 76.34 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.295 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 74.4 -111.0 3.26 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -61.86 -23.38 66.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.605 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 1.8 m-20 -62.12 -29.25 70.2 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -26.2 68.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.07 179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.41 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -64.22 -33.54 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' B' ' 587' ' ' ASP . 1.5 mm? -60.69 -36.69 79.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.58 ' CE1' HD11 ' B' ' 618' ' ' ILE . 57.0 m-85 -68.37 -46.47 69.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -37.11 83.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.59 91.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.826 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.39 -11.54 58.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.322 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 97.42 13.6 44.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.301 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.529 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.6 mt -97.0 92.95 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.119 0.485 . . . . 0.0 110.58 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.67 -3.6 4.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.379 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.53 171.67 7.35 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.47 0.652 . . . . 0.0 112.3 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.574 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -82.32 160.97 22.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.713 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.5 -41.49 1.87 Allowed Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.848 -0.614 . . . . 0.0 113.054 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.39 -43.64 79.48 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.891 0.476 . . . . 0.0 111.635 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -41.87 94.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 1.0 OUTLIER -68.4 -40.12 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.301 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' B' ' 604' ' ' ARG . 1.7 ttm105 -64.79 -46.67 81.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 6.7 mm-40 -61.14 -33.33 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.015 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.884 ' HA ' HD11 ' B' ' 612' ' ' ILE . 82.5 t80 -67.24 -39.72 86.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.956 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 65.1 mt-10 -73.52 -41.08 63.5 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.74 -36.72 56.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.687 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' B' ' 605' ' ' GLU . 1.8 m-70 -109.43 -58.97 1.97 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 81.13 -19.3 0.44 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.843 0.714 . . . . 0.0 110.061 -178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . 0.665 ' HA ' ' OH ' ' B' ' 530' ' ' TYR . 8.7 p-10 -114.88 30.47 7.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.48 0.657 . . . . 0.0 110.036 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.884 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.3 OUTLIER -55.96 -57.68 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.642 -178.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' B' ' 627' ' ' TYR . 2.3 m-85 -57.53 -37.62 73.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.848 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.17 -38.73 82.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 109.94 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -42.32 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.562 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' B' ' 613' ' ' PHE . 45.0 pt -71.7 -25.2 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.18 31.65 2.8 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 119.944 -1.122 . . . . 0.0 113.979 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' B' ' 591' ' ' PHE . 17.1 mm -66.45 145.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -65.32 120.39 12.69 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -27.58 67.19 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -19.17 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.659 0.266 . . . . 0.0 111.122 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' B' ' 622' ' ' LYS . 6.6 mtmm -125.83 -8.54 6.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.518 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' B' ' 530' ' ' TYR . 0.3 OUTLIER -53.29 -44.77 68.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.484 0.714 . . . . 0.0 112.422 -178.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -43.24 93.37 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.084 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -62.85 -38.44 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.756 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.523 ' CD1' HD12 ' B' ' 582' ' ' ILE . 2.2 m-30 -61.27 -47.76 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.714 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' B' ' 613' ' ' PHE . 27.3 m-85 -64.91 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.74 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.9 ' HG2' HG11 ' B' ' 561' ' ' VAL . 4.3 tp10 -58.89 -49.15 78.85 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.61 75.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.174 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -49.41 72.81 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.292 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.542 HD12 ' NH2' ' B' ' 635' ' ' ARG . 2.5 mm? -64.55 -43.97 92.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.825 0.345 . . . . 0.0 110.701 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 15.6 m -62.69 -40.84 98.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.129 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.6 OUTLIER -65.35 -41.8 93.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.892 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -60.11 -38.28 82.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.542 ' NH2' HD12 ' B' ' 631' ' ' LEU . 0.0 OUTLIER -63.79 -42.82 97.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.065 179.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.537 HD11 ' CB ' ' B' ' 553' ' ' ALA . 60.5 mt -61.78 -44.62 99.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 CA-C-O 121.162 0.506 . . . . 0.0 110.067 178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -44.19 81.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.112 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.54 -35.19 65.51 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.829 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.561 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.98 -26.06 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 10.4 mtt -66.51 -30.78 71.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.328 0.585 . . . . 0.0 109.864 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -6.15 40.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.744 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -67.22 128.22 93.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.152 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 6.7 Cg_exo -72.25 -75.87 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 0.0 111.073 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.007 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.896 ' HB ' HD23 ' A' ' 623' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.253 0.549 . . . . 0.0 109.58 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.32 115.98 31.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.647 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.9 OUTLIER -99.4 160.08 14.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.405 0.621 . . . . 0.0 111.601 -177.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.44 129.75 42.08 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.255 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -100.73 129.22 46.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.101 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.64 134.02 49.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.095 0.474 . . . . 0.0 111.899 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.05 96.51 8.53 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 32.2 tp -91.37 142.51 27.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.687 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.83 120.86 32.92 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.7 OUTLIER -118.92 136.97 53.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.76 -177.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 542' ' ' TYR . 0.0 OUTLIER -79.8 155.54 27.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -53.96 -37.56 64.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -177.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.54 -46.91 65.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -80.74 -27.63 36.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.089 0.471 . . . . 0.0 111.494 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.646 ' HA ' HD12 ' A' ' 537' ' ' LEU . 83.4 t80 -53.66 -47.68 70.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.678 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.739 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.2 p -64.83 -34.43 78.35 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -43.62 83.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.21 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.13 -43.9 74.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.631 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 642' ' ' LEU . 54.6 t -60.04 -50.28 80.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.955 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -66.99 -32.51 73.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.471 -179.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.609 ' HE2' HG22 ' B' ' 545' ' ' VAL . 3.2 t80 -60.01 -50.96 71.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 6.9 mt -72.11 -30.5 65.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.293 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.93 -35.44 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 6.3 mmt85 -64.55 -40.22 95.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.619 ' HA ' HH12 ' A' ' 557' ' ' ARG . 2.8 mm-40 -64.08 -41.26 97.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.114 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.09 -26.12 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.537 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.57 ' HE2' HG23 ' A' ' 636' ' ' ILE . 13.1 mttm -78.9 -54.99 5.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.362 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 93.0 t -86.46 125.02 68.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.35 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.91 128.1 25.5 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.789 2.326 . . . . 0.0 112.037 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.619 HH12 ' HA ' ' A' ' 552' ' ' GLU . 0.0 OUTLIER -154.97 -36.64 0.09 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.7 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -84.77 123.96 31.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 -12.21 19.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.819 0.342 . . . . 0.0 111.752 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -89.27 -42.18 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.348 0.594 . . . . 0.0 110.058 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.635 HG11 ' HG2' ' A' ' 628' ' ' GLU . 1.5 p -113.29 119.22 42.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.802 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.64 103.6 0.2 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.025 2.483 . . . . 0.0 111.848 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -42.15 6.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.08 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -48.34 77.79 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 569' ' ' ILE . 14.6 p -67.01 -30.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.783 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -70.4 -39.47 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.528 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -73.71 -14.43 61.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.306 0.574 . . . . 0.0 110.079 179.394 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -16.85 49.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.914 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -89.86 145.55 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.52 . . . . 0.0 111.263 -179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.5 OUTLIER -86.07 126.55 64.98 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 570' ' ' LEU . 37.2 Cg_endo -67.45 13.61 0.16 Allowed 'Trans proline' 0 C--N 1.335 -0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.504 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 80.8 p -99.84 -16.2 18.13 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.839 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -80.25 -39.63 28.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.29 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 141.94 -137.79 8.18 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.576 HD21 HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -126.29 -5.51 6.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.851 0.326 . . . . 0.0 110.581 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -55.3 -45.02 76.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.528 -178.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.76 -36.77 81.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.007 0.432 . . . . 0.0 110.238 179.116 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 575' ' ' LEU . 54.2 t80 -59.57 -44.28 93.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.834 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -66.41 -38.96 88.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.639 178.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.44 -38.11 83.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.703 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.15 -42.97 82.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 626' ' ' TYR . 25.8 pt -94.01 8.63 5.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.657 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 63.92 39.76 7.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.377 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -107.07 53.45 0.69 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -58.18 -47.41 89.55 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.25 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -73.87 -22.12 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 3.1 m-20 -74.16 -25.33 59.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.01 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -26.43 64.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.3 OUTLIER -64.92 -33.81 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.528 -179.639 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 587' ' ' ASP . 1.3 mm? -62.34 -38.07 88.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.533 0.682 . . . . 0.0 109.479 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.3 m-85 -68.11 -42.98 79.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.433 178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -56.8 -41.41 77.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.97 93.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.306 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.477 ' HB2' HG22 ' A' ' 616' ' ' ILE . 5.2 t30 -81.55 -12.71 58.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.09 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.85 13.97 53.57 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.321 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.576 HG22 HD21 ' A' ' 575' ' ' LEU . 6.6 mt -94.67 107.79 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -165.4 20.03 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.898 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.63 173.04 9.26 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.588 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.06 128.82 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.871 -179.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 84.5 -31.85 3.47 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.568 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.62 96.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.794 0.33 . . . . 0.0 110.181 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 603' ' ' ILE . 0.0 OUTLIER -66.41 -39.24 88.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.013 0.435 . . . . 0.0 110.565 178.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.441 HD12 ' SD ' ' A' ' 602' ' ' MET . 1.7 mt -67.8 -40.7 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.394 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.91 -44.82 95.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.004 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -61.17 -36.27 79.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.297 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.686 ' HA ' HD11 ' A' ' 612' ' ' ILE . 20.6 t80 -65.57 -46.81 78.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.594 178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.48 -33.63 73.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -75.03 -27.78 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' ' 610' ' ' ASN . 5.3 m-70 -120.82 -132.42 0.3 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.954 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 609' ' ' HIS . 1.9 p30 168.63 -24.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -110.14 29.26 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.177 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.6 OUTLIER -53.19 -56.12 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.388 -178.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -59.34 -40.18 85.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.122 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.67 -36.94 83.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.282 0.563 . . . . 0.0 110.148 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.38 76.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.631 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 594' ' ' ASN . 38.1 pt -73.5 -22.39 19.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.33 31.47 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 119.884 -1.15 . . . . 0.0 113.632 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.589 HD11 ' CE1' ' A' ' 591' ' ' PHE . 19.0 mm -66.94 147.54 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.26 120.44 11.56 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.307 0.575 . . . . 0.0 110.124 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -66.35 -31.39 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.63 -177.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -64.79 -15.44 61.7 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.112 -0.368 . . . . 0.0 111.777 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -129.64 2.95 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.896 HD23 ' HB ' ' A' ' 528' ' ' THR . 11.2 tp -53.17 -37.26 61.74 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.144 0.578 . . . . 0.0 112.436 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -45.37 91.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.122 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -35.97 79.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 613' ' ' PHE . 1.9 m-85 -62.42 -46.84 86.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.783 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -65.84 -34.03 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.673 0.273 . . . . 0.0 111.617 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.635 ' HG2' HG11 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -61.87 -47.3 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.216 0.531 . . . . 0.0 110.359 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.05 -34.88 78.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.569 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.669 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.87 -49.32 78.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.405 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -64.95 -43.34 93.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.405 ' HB3' ' CB ' ' A' ' 553' ' ' ALA . 14.7 m -58.59 -43.83 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.372 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.783 ' HD1' HG13 ' A' ' 566' ' ' VAL . 19.0 t80 -61.98 -46.18 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.809 -178.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -63.35 -38.26 90.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.088 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -45.24 94.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.786 0.327 . . . . 0.0 110.348 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.57 HG23 ' HE2' ' A' ' 554' ' ' LYS . 24.1 mt -63.18 -46.4 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.71 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -43.78 81.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.409 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -35.48 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.619 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -69.19 -24.96 64.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.348 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -33.57 75.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.9 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 641' ' ' LYS . 0.1 OUTLIER -95.85 -5.81 40.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.269 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.739 ' HG ' HG22 ' A' ' 543' ' ' THR . 5.7 tp -71.65 128.16 90.08 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.955 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -91.49 61.01 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 123.155 2.57 . . . . 0.0 112.234 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.491 ' HG2' ' HB ' ' A' ' 543' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.352 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . 0.467 ' HB ' ' H ' ' B' ' 529' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.809 0.338 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.467 ' H ' ' HB ' ' B' ' 528' ' ' THR . 15.3 p-10 -161.3 -174.33 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.825 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.409 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.1 OUTLIER -108.59 151.15 26.51 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.091 -179.296 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.2 152.97 44.68 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.362 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.423 ' HE2' HD21 ' B' ' 631' ' ' LEU . 26.2 m-85 -106.15 136.39 45.93 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.736 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -130.72 143.03 50.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.422 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.82 134.78 34.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.885 0.374 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 542' ' ' TYR . 11.1 tp -119.71 135.93 54.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.53 119.9 32.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.082 0.467 . . . . 0.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -122.17 142.71 50.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.786 -179.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.14 155.56 26.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.647 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -56.97 -40.96 77.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.47 -44.92 70.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.436 ' O ' HG23 ' B' ' 545' ' ' VAL . 65.1 mm-40 -78.74 -29.24 45.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 -179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' B' ' 537' ' ' LEU . 90.8 t80 -56.05 -49.64 73.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.91 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 1.035 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.08 -35.21 74.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.45 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -67.87 -41.27 83.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.126 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.609 HG22 ' HE2' ' A' ' 548' ' ' PHE . 92.7 t -69.24 -43.59 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.532 HG22 ' NH1' ' B' ' 635' ' ' ARG . 57.3 t -59.73 -50.82 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.975 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.754 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -62.26 -38.19 88.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.7 179.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.7 OUTLIER -58.36 -47.71 82.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.725 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 15.4 mt -72.31 -33.02 67.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.952 0.406 . . . . 0.0 110.656 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.35 72.64 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 23.9 mmt85 -64.13 -45.42 88.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -67.81 -33.15 74.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.312 0.577 . . . . 0.0 110.402 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.22 -38.99 50.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.84 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 51.5 mttt -74.1 -52.22 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.094 0.473 . . . . 0.0 110.249 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.28 111.38 51.69 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 1.02 ' HG3' ' HB2' ' B' ' 564' ' ' GLN . 84.9 Cg_exo -37.41 125.43 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.639 2.893 . . . . 0.0 114.207 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.59 10.02 0.94 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.909 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -135.5 124.42 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.062 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.75 -20.28 16.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -84.45 -40.15 18.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.186 0.517 . . . . 0.0 110.058 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' B' ' 628' ' ' GLU . 1.5 p -111.11 124.02 33.85 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.669 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.867 ' HG2' ' HA ' ' B' ' 582' ' ' ILE . 36.4 Cg_exo -57.73 108.38 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.16 2.573 . . . . 0.0 112.556 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.76 -43.74 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.789 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 1.02 ' HB2' ' HG3' ' B' ' 556' ' ' PRO . 0.9 OUTLIER -56.1 -50.54 70.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.111 -178.259 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.721 HG13 ' HB1' ' B' ' 581' ' ' ALA . 11.0 p -68.99 -29.62 43.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.813 HG13 ' HD1' ' B' ' 633' ' ' PHE . 0.9 OUTLIER -70.16 -40.82 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.382 -179.025 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.448 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 0.1 OUTLIER -72.9 -14.92 61.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.384 0.611 . . . . 0.0 110.249 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -18.84 43.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.895 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 566' ' ' VAL . 23.4 mt -76.07 135.85 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.286 0.565 . . . . 0.0 111.678 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.63 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.6 OUTLIER -86.97 119.81 71.25 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' B' ' 570' ' ' LEU . 39.3 Cg_endo -67.79 23.34 0.12 Allowed 'Trans proline' 0 N--CA 1.471 0.195 0 C-N-CA 123.038 2.492 . . . . 0.0 112.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 570' ' ' LEU . 54.6 p -109.37 -16.21 14.07 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.952 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.45 -51.87 7.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.992 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 149.12 -139.07 7.24 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.491 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -116.45 -7.02 11.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.833 0.317 . . . . 0.0 110.834 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -45.97 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.002 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -36.89 85.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.69 0.281 . . . . 0.0 110.251 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -61.41 -42.27 98.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.721 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -66.78 -45.53 78.19 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 53.4 m -60.39 -38.53 84.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.323 0.582 . . . . 0.0 110.732 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.721 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.92 -46.07 82.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.884 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.867 ' HA ' ' HG2' ' B' ' 562' ' ' PRO . 8.8 pt -89.38 7.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.249 -179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt 63.13 39.27 10.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.648 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -100.43 45.95 0.97 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.684 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -75.66 59.66 2.94 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.914 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -170.4 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.629 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.34 -22.23 60.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.809 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.523 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -58.33 -25.49 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.708 179.571 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.512 HG12 HD22 ' B' ' 590' ' ' LEU . 0.7 OUTLIER -60.71 -33.61 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.159 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.512 HD22 HG12 ' B' ' 589' ' ' VAL . 1.3 mm? -66.07 -39.41 90.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.788 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' B' ' 618' ' ' ILE . 82.6 m-85 -67.46 -43.9 79.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.446 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -37.41 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.15 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.59 88.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.349 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.554 HD22 HD11 ' B' ' 596' ' ' ILE . 11.1 t30 -79.48 -12.01 59.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.126 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 93.02 19.93 34.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.388 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.554 HD11 HD22 ' B' ' 594' ' ' ASN . 6.4 mt -101.15 94.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.564 0.221 . . . . 0.0 111.293 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.74 8.96 2.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.9 167.39 10.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.388 0.613 . . . . 0.0 112.219 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -83.49 144.47 29.53 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.957 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 81.47 -33.63 2.52 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.518 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.91 -41.44 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -44.86 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.215 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.62 -40.11 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.023 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -45.16 94.56 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 609' ' ' HIS . 0.3 OUTLIER -68.19 -33.7 74.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.381 179.087 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.773 ' HA ' HD11 ' B' ' 612' ' ' ILE . 55.3 t80 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.249 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -40.85 95.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -77.72 -15.26 59.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.649 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.473 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 6.5 m-70 -130.81 -136.97 0.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.152 0.501 . . . . 0.0 111.642 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.473 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 6.1 p30 171.27 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -111.13 27.58 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.885 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -53.54 -55.78 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.164 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 3.0 m-85 -59.14 -40.05 84.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.118 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -39.39 88.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.084 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -41.95 95.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.41 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 46.1 pt -72.89 -22.23 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 110.7 28.52 3.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.21 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.9 mm -67.18 146.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 117.217 0.508 . . . . 0.0 110.0 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.21 121.5 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.609 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.7 OUTLIER -60.26 -30.47 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -16.87 64.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 111.322 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 22.5 mtpt -122.45 -6.88 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.857 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 16.3 tp -52.91 -41.96 64.91 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -45.63 90.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -36.22 83.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.48 ' HB3' ' CE2' ' B' ' 613' ' ' PHE . 1.9 m-30 -63.26 -47.61 81.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.705 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.07 -35.44 81.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.343 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.556 ' HG2' HG11 ' B' ' 561' ' ' VAL . 0.1 OUTLIER -61.8 -48.93 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.11 81.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.017 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.461 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.1 OUTLIER -57.93 -49.02 78.19 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.539 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' B' ' 532' ' ' PHE . 1.0 OUTLIER -63.19 -44.25 95.92 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.211 179.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.412 ' O ' HG13 ' B' ' 636' ' ' ILE . 15.5 m -60.34 -46.93 88.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.769 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.813 ' HD1' HG13 ' B' ' 566' ' ' VAL . 8.6 t80 -63.99 -40.87 97.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.796 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.42 -37.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.722 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.742 ' NE ' ' HA ' ' B' ' 635' ' ' ARG . 4.0 mmp_? -73.08 -44.47 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.527 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' B' ' 553' ' ' ALA . 56.6 mt -60.12 -46.72 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -46.96 81.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.472 -178.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.75 -35.5 70.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.639 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -60.22 -26.98 66.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.95 0.405 . . . . 0.0 111.153 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 24.5 mtt -69.76 -33.91 73.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.275 0.56 . . . . 0.0 109.889 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.45 -6.01 41.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.113 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 1.035 ' HG ' HG22 ' B' ' 543' ' ' THR . 2.3 tp -62.24 127.37 89.54 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.907 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -91.16 44.36 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 123.123 2.549 . . . . 0.0 110.691 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' B' ' 543' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.253 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.197 0.523 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -69.24 -70.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.958 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 627' ' ' TYR . 0.4 OUTLIER -149.36 44.2 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 111.334 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.37 140.1 36.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 36.7 m-85 -88.71 134.35 33.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.108 0.48 . . . . 0.0 111.191 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 533' ' ' ARG . 0.0 OUTLIER -123.42 128.44 49.84 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.818 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.83 135.0 49.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.14 0.495 . . . . 0.0 111.312 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 20.2 tp -125.39 150.54 47.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.516 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.182 0.515 . . . . 0.0 110.276 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.17 140.74 50.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.203 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.458 ' HB2' ' OH ' ' B' ' 530' ' ' TYR . 0.1 OUTLIER -79.95 158.31 26.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.84 87.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -70.25 -44.43 68.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 545' ' ' VAL . 45.8 mt-10 -72.82 -30.5 64.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 546' ' ' VAL . 62.6 t80 -56.55 -51.18 69.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.642 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.908 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.0 OUTLIER -67.48 -34.31 76.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.982 0.42 . . . . 0.0 110.91 -179.426 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.79 89.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.064 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.517 HG22 ' HE2' ' B' ' 548' ' ' PHE . 93.9 t -71.45 -43.78 72.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.795 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 542' ' ' TYR . 55.6 t -59.78 -49.38 84.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.064 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.0 OUTLIER -68.59 -33.84 74.75 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 -179.189 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.548 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.0 t80 -60.12 -49.93 75.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.766 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 14.3 mt -71.47 -27.76 63.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.313 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.44 76.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.109 0.48 . . . . 0.0 109.867 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 19.9 mmt180 -67.71 -41.9 82.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.975 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.42 -32.7 74.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.529 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.601 ' O ' ' HB ' ' A' ' 563' ' ' THR . . . -78.66 -25.71 44.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.891 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -80.03 -45.25 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.132 0.491 . . . . 0.0 111.586 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.525 ' HB ' ' HD2' ' A' ' 556' ' ' PRO . 2.5 m -103.51 162.1 21.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.378 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 555' ' ' VAL . 10.4 Cg_endo -58.52 127.08 23.29 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 108.902 -1.23 . . . . 0.0 108.902 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.32 -20.47 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.82 157.18 21.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.514 ' CE3' HG23 ' A' ' 561' ' ' VAL . 0.0 OUTLIER -116.89 28.75 8.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.272 -178.042 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.514 HG23 ' CE3' ' A' ' 560' ' ' TRP . 2.0 t -121.54 122.95 27.76 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.457 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 2.7 Cg_exo -75.99 79.1 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.052 2.502 . . . . 0.0 111.479 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.601 ' HB ' ' O ' ' A' ' 553' ' ' ALA . 0.6 OUTLIER -66.85 -34.27 77.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.992 -179.129 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -49.92 73.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.676 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 569' ' ' ILE . 9.3 p -68.28 -32.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.626 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.827 ' HA ' HD12 ' A' ' 569' ' ' ILE . 1.0 OUTLIER -67.54 -41.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -71.95 -19.86 61.83 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.428 0.632 . . . . 0.0 109.589 179.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.79 -20.09 47.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.589 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 566' ' ' VAL . 59.8 mt -74.48 137.6 22.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.18 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -91.87 117.88 67.97 Favored Pre-proline 0 C--N 1.314 -0.978 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 177.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 570' ' ' LEU . 55.5 Cg_endo -69.15 22.55 0.15 Allowed 'Trans proline' 0 N--CA 1.471 0.166 0 C-N-CA 123.088 2.525 . . . . 0.0 111.915 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.547 ' H ' ' C ' ' A' ' 570' ' ' LEU . 50.1 p -109.68 -13.27 14.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.221 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.98 -30.58 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.941 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 140.82 -148.31 19.96 Favored Glycine 0 N--CA 1.442 -0.96 0 N-CA-C 111.334 -0.707 . . . . 0.0 111.334 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.51 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -117.86 -5.01 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 110.384 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -43.24 76.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.431 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.776 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -63.98 -37.39 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.96 -43.61 98.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.115 0.484 . . . . 0.0 109.847 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 55.2 m -64.02 -39.59 94.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.705 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.447 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -57.46 -41.62 80.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.599 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 584' ' ' ALA . 8.7 pt -91.81 5.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.7 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.03 39.17 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.646 -179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.444 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -59.09 -65.4 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.655 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 104.78 -108.8 3.17 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.863 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -89.09 1.96 54.82 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.87 -24.31 67.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.407 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -26.0 64.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.681 179.275 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.12 -33.72 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.032 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.489 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -66.17 -39.51 89.8 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.558 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.5 ' CE1' HD11 ' A' ' 618' ' ' ILE . 70.5 m-85 -68.04 -44.2 76.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.356 178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 1.9 t30 -60.0 -38.42 82.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.211 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.67 88.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.126 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -83.9 -12.0 56.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.243 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 96.13 4.59 59.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.996 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.51 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.8 mt -85.42 81.35 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.8 0.333 . . . . 0.0 111.027 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' A' ' 592' ' ' ASN . 0.4 OUTLIER -134.33 30.17 3.58 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.113 0.482 . . . . 0.0 110.253 178.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.82 170.77 13.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.524 0.678 . . . . 0.0 112.597 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' A' ' 571' ' ' PRO . 0.0 OUTLIER -83.47 135.93 34.49 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.21 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.6 -25.05 4.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.714 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.93 93.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.677 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.635 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.08 -41.44 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.183 0.516 . . . . 0.0 110.036 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.431 ' HG3' ' HD2' ' A' ' 608' ' ' LYS . 0.2 OUTLIER -63.26 -46.33 87.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.517 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 609' ' ' HIS . 13.0 mm-40 -60.94 -36.24 78.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.851 0.358 . . . . 0.0 110.204 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.62 ' HA ' HD11 ' A' ' 612' ' ' ILE . 9.5 t80 -66.26 -38.8 88.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.016 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.3 -42.42 99.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . 0.431 ' HD2' ' HG3' ' A' ' 604' ' ' ARG . 0.1 OUTLIER -78.61 -28.07 45.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.778 179.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 11.1 m-70 -116.28 -144.68 0.38 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.663 0.744 . . . . 0.0 112.948 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 0.0 OUTLIER -176.6 -29.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.324 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -105.43 33.1 3.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.174 -1.375 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.8 OUTLIER -56.38 -63.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.757 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 2.9 m-85 -58.41 -39.61 80.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -41.93 99.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.219 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -69.16 -42.56 75.75 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 41.9 pt -67.49 -24.31 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.403 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 111.68 29.11 3.47 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.17 -1.014 . . . . 0.0 113.605 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' A' ' 591' ' ' PHE . 20.2 mm -66.48 146.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.88 132.73 50.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.208 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.566 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -67.86 -28.47 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -12.41 60.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.198 0.523 . . . . 0.0 110.634 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 29.4 mtpt -120.82 -4.44 9.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.275 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.0 tp -53.87 -45.06 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.345 -178.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -47.68 83.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.614 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 626' ' ' TYR . 0.0 OUTLIER -64.28 -37.51 87.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 3.0 m-85 -64.8 -49.91 68.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . 0.442 ' HB3' ' CD1' ' A' ' 530' ' ' TYR . 10.2 m-85 -65.7 -32.37 73.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.22 -51.14 68.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.436 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.11 78.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.384 0.611 . . . . 0.0 110.932 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.465 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.3 OUTLIER -57.37 -48.77 78.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.108 179.494 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 631' ' ' LEU . 0.5 OUTLIER -67.16 -38.57 85.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.05 -178.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.03 99.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.97 0.414 . . . . 0.0 110.706 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.512 ' HA ' HD12 ' A' ' 636' ' ' ILE . 0.3 OUTLIER -60.44 -46.08 91.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.686 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -62.26 -37.23 84.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.766 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -59.27 -45.42 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.518 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 567' ' ' SER . 8.3 mt -64.94 -48.95 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.805 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -58.02 -47.22 83.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.697 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . 0.597 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.1 OUTLIER -68.09 -35.76 78.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.652 0.263 . . . . 0.0 111.092 -179.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 110.82 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 2.6 mtt -69.71 -30.13 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.37 0.605 . . . . 0.0 109.696 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -5.69 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.759 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.908 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.6 tp -61.8 130.41 92.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -78.44 37.86 0.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.976 2.451 . . . . 0.0 112.043 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.988 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -59.98 -54.57 44.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.004 0.43 . . . . 0.0 110.308 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.458 ' OH ' ' HB2' ' A' ' 538' ' ' SER . 4.1 t80 -151.71 111.82 4.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.081 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 6.9 m -94.04 131.55 39.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.57 145.08 25.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.261 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -131.89 126.67 34.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.145 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.1 127.51 34.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 121.017 0.437 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 20.6 tp -113.29 143.69 44.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 532' ' ' PHE . 0.9 OUTLIER -92.36 128.44 38.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.542 HD11 HG21 ' B' ' 545' ' ' VAL . 0.2 OUTLIER -119.83 125.54 48.8 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.253 -178.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 532' ' ' PHE . 0.0 OUTLIER -75.8 157.05 33.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.067 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.18 -50.15 62.42 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -69.8 -43.59 71.79 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.3 -28.88 65.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 546' ' ' VAL . 89.3 t80 -55.36 -51.39 66.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.259 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.768 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.8 OUTLIER -60.69 -36.96 80.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.996 0.427 . . . . 0.0 110.899 -178.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -67.61 -44.69 77.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.542 HG21 HD11 ' B' ' 537' ' ' LEU . 54.3 t -69.78 -43.34 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.383 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.479 HG11 HD13 ' B' ' 642' ' ' LEU . 55.3 t -59.91 -50.34 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -67.3 -35.95 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.146 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.567 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 2.3 t80 -58.84 -50.89 72.3 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.644 0.259 . . . . 0.0 110.959 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.862 ' HB2' ' HG2' ' B' ' 635' ' ' ARG . 9.4 mt -71.84 -28.26 63.44 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.629 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.89 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 12.5 mmt85 -67.1 -42.91 83.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.697 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.9 -39.14 93.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.741 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' B' ' 632' ' ' SER . . . -77.31 -23.51 51.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.358 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' B' ' 567' ' ' SER . 7.3 mttt -77.04 -24.98 52.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.407 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 6.7 m -115.15 158.93 39.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.993 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -73.35 124.27 9.31 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 N-CA-C 108.806 -1.267 . . . . 0.0 108.806 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 16.49 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.466 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -112.15 149.95 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.486 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.55 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' B' ' 561' ' ' VAL . 0.0 OUTLIER -120.6 7.57 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 -178.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' B' ' 560' ' ' TRP . 3.0 t -96.35 118.17 65.62 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.521 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . 0.703 ' HB2' HG12 ' B' ' 565' ' ' VAL . 56.6 Cg_endo -70.16 83.28 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.16 2.573 . . . . 0.0 111.165 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . 0.543 HG22 ' HA ' ' B' ' 553' ' ' ALA . 0.0 OUTLIER -68.93 -44.81 72.32 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.743 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -57.84 -50.22 74.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.703 HG12 ' HB2' ' B' ' 562' ' ' PRO . 7.5 p -69.26 -33.86 60.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.485 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.792 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.0 OUTLIER -67.45 -41.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 554' ' ' LYS . 1.3 p -74.18 -14.2 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.492 0.663 . . . . 0.0 110.166 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -84.68 -15.61 44.7 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.208 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.559 HG13 ' O ' ' B' ' 565' ' ' VAL . 5.8 mt -80.3 140.73 16.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.661 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.3 OUTLIER -92.18 121.9 65.83 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.113 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' B' ' 570' ' ' LEU . 61.6 Cg_endo -70.97 21.7 0.21 Allowed 'Trans proline' 0 C--O 1.224 -0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.598 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.456 ' H ' ' C ' ' B' ' 570' ' ' LEU . 46.3 p -108.12 -17.06 14.13 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.943 0.401 . . . . 0.0 110.767 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.29 -39.45 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 152.01 -152.12 23.91 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.565 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -120.28 -12.65 9.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.917 0.358 . . . . 0.0 110.483 179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -39.45 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.478 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . 0.51 HH11 HG23 ' B' ' 569' ' ' ILE . 0.0 OUTLIER -62.63 -36.74 83.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.69 0.281 . . . . 0.0 110.429 178.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.56 -40.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -43.85 96.02 Favored 'General case' 0 C--O 1.227 -0.121 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 59.6 m -61.15 -41.39 96.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.878 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.5 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.5 -46.27 80.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.499 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.439 HG13 ' HB2' ' B' ' 584' ' ' ALA . 4.5 pt -85.42 4.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.099 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.92 38.06 24.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.256 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.439 ' HB2' HG13 ' B' ' 582' ' ' ILE . . . -63.28 -62.27 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.41 -110.25 2.68 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.439 -0.886 . . . . 0.0 113.381 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -98.49 14.81 26.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.01 -23.92 67.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.212 0.529 . . . . 0.0 109.856 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.532 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.18 -25.25 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.518 178.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.463 HG12 HD22 ' B' ' 590' ' ' LEU . 0.5 OUTLIER -60.35 -33.83 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.116 179.483 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.463 HD22 HG12 ' B' ' 589' ' ' VAL . 0.9 OUTLIER -66.21 -38.97 89.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.545 ' HB3' ' HB ' ' B' ' 596' ' ' ILE . 91.7 m-85 -67.88 -43.24 79.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.258 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.39 -41.49 80.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.239 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -59.59 -40.42 87.37 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.082 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.489 ' HB3' HG13 ' B' ' 596' ' ' ILE . 2.9 t30 -80.92 -12.49 59.39 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.076 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.18 15.82 46.48 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.836 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' B' ' 575' ' ' LEU . 3.7 mt -98.08 95.73 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.037 0.446 . . . . 0.0 111.086 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -148.25 15.73 1.03 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.334 0.588 . . . . 0.0 109.948 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.09 174.01 10.2 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.527 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -79.63 147.76 31.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.373 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 82.26 -32.66 2.77 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.973 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -45.04 95.87 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -41.74 95.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.541 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.441 ' O ' ' HG3' ' B' ' 607' ' ' GLU . 2.1 mt -68.29 -40.09 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.024 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -60.28 -46.83 88.46 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.422 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.438 ' HB3' HG21 ' B' ' 612' ' ' ILE . 0.0 OUTLIER -64.34 -34.86 79.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.639 ' HA ' HD11 ' B' ' 612' ' ' ILE . 80.6 t80 -66.6 -38.81 87.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.387 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 54.5 mt-10 -66.98 -42.47 85.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.702 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -77.28 -26.91 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.149 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 21.7 m-70 -126.25 -138.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.362 0.601 . . . . 0.0 112.01 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.421 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 13.0 p30 174.27 -21.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 107.461 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -103.44 23.89 11.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.212 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.6 OUTLIER -52.9 -57.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -178.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.27 -40.67 82.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.993 0.425 . . . . 0.0 110.761 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.562 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.8 OUTLIER -66.24 -38.97 89.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.29 0.567 . . . . 0.0 110.219 178.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -66.26 -42.78 88.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.566 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.48 HG22 ' HB2' ' B' ' 594' ' ' ASN . 41.2 pt -70.96 -23.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . 0.401 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 112.1 28.39 3.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.027 -1.083 . . . . 0.0 113.763 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.5 HD11 ' CE1' ' B' ' 591' ' ' PHE . 19.4 mm -65.9 146.23 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' B' ' 622' ' ' LYS . 6.2 t70 -64.76 127.81 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.495 . . . . 0.0 110.96 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -58.8 -32.74 69.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.799 -178.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -6.89 49.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.819 0.342 . . . . 0.0 111.665 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.571 ' HE2' ' OH ' ' B' ' 626' ' ' TYR . 25.6 mtpt -122.66 -6.97 8.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.562 HD21 ' HG3' ' B' ' 614' ' ' GLU . 8.0 tp -54.52 -46.01 73.46 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -48.15 83.08 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.494 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.15 -35.87 82.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.089 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.571 ' OH ' ' HE2' ' B' ' 622' ' ' LYS . 3.3 m-30 -66.55 -50.14 64.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . 0.42 ' CE2' ' HG ' ' B' ' 623' ' ' LEU . 8.9 m-85 -63.89 -33.94 76.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.764 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' B' ' 561' ' ' VAL . 3.3 tp10 -61.25 -51.53 68.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.784 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -36.01 79.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.692 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.59 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.4 OUTLIER -57.02 -48.74 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.823 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' B' ' 631' ' ' LEU . 1.7 mm? -64.96 -44.48 89.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.042 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.64 ' HB3' ' HB2' ' B' ' 553' ' ' ALA . 4.5 m -62.34 -41.77 98.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.307 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.792 ' HD1' HG13 ' B' ' 566' ' ' VAL . 27.8 t80 -62.27 -44.63 96.1 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.004 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -61.08 -40.11 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.862 ' HG2' ' HB2' ' B' ' 549' ' ' LEU . 0.3 OUTLIER -60.2 -44.94 94.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 633' ' ' PHE . 22.4 mt -59.92 -47.02 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 109.93 178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.532 ' OE1' ' HG3' ' B' ' 571' ' ' PRO . 20.4 tp60 -59.95 -42.83 94.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -36.35 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.346 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.677 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -65.11 -24.52 67.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.47 -32.92 74.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.356 0.598 . . . . 0.0 109.525 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -10.29 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.079 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.768 ' HG ' HG22 ' B' ' 543' ' ' THR . 5.1 tp -71.2 128.29 90.51 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.388 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.27 58.83 7.18 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.761 2.307 . . . . 0.0 111.292 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.103 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . 0.4 HG22 HD22 ' A' ' 623' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.917 0.389 . . . . 0.0 111.277 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -121.11 143.39 49.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.056 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' B' ' 538' ' ' SER . 0.2 OUTLIER -88.71 -172.04 3.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.925 0.393 . . . . 0.0 110.494 -179.707 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.32 129.25 35.43 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.286 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.34 129.53 44.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.533 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . 0.451 HH11 ' HB3' ' A' ' 533' ' ' ARG . 0.6 OUTLIER -121.7 126.42 48.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.051 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.61 111.57 16.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.837 0.351 . . . . 0.0 110.372 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.502 HD13 ' CE1' ' B' ' 542' ' ' TYR . 12.7 tp -101.88 134.87 44.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . 0.474 HG23 HG23 ' B' ' 534' ' ' THR . 0.0 OUTLIER -92.36 120.66 33.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.87 0.367 . . . . 0.0 110.543 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 542' ' ' TYR . 0.3 OUTLIER -121.34 143.99 48.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.962 -179.295 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.455 ' HA ' ' HD1' ' B' ' 532' ' ' PHE . 0.1 OUTLIER -81.19 155.55 26.1 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -39.16 81.8 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.8 76.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.25 -28.41 38.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.744 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.569 ' HA ' HD12 ' A' ' 537' ' ' LEU . 87.6 t80 -54.67 -46.79 74.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.857 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 1.001 HG22 ' HG ' ' A' ' 642' ' ' LEU . 1.1 p -63.34 -35.68 81.18 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.03 0.443 . . . . 0.0 111.72 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -42.95 94.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.112 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.613 HG22 ' HE2' ' B' ' 548' ' ' PHE . 38.7 t -71.64 -42.4 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.795 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 642' ' ' LEU . 43.5 t -60.6 -49.34 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.109 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 1.2 mm-40 -67.14 -33.57 75.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.184 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 1.8 t80 -60.11 -49.11 78.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.237 0.542 . . . . 0.0 110.14 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 17.5 mt -72.06 -26.33 62.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.638 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.37 80.15 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.7 mmt180 -63.27 -45.28 92.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.491 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.746 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.409 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -78.27 -21.16 50.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -83.54 -42.44 16.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.03 0.443 . . . . 0.0 110.482 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 95.2 t -90.13 127.47 53.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.476 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 564' ' ' GLN . 15.4 Cg_endo -56.83 127.33 25.4 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.035 1.823 . . . . 0.0 112.161 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' ' 557' ' ' ARG . 0.0 OUTLIER -164.67 21.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.492 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . 0.41 ' HB3' HG13 ' A' ' 561' ' ' VAL . 6.1 m-30 -110.57 161.7 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.988 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.421 ' HB ' ' H ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -65.73 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.421 ' H ' ' HB ' ' A' ' 559' ' ' THR . 0.0 OUTLIER -70.83 -39.89 72.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.296 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 629' ' ' ALA . 1.4 p -76.49 123.52 87.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.824 -178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.669 ' HB2' HG12 ' A' ' 565' ' ' VAL . 2.9 Cg_exo -75.82 110.56 3.11 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.022 2.481 . . . . 0.0 110.575 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -42.34 70.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -177.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.721 ' HB2' ' HD3' ' A' ' 556' ' ' PRO . 0.4 OUTLIER -60.37 -47.09 87.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.669 HG12 ' HB2' ' A' ' 562' ' ' PRO . 5.3 p -65.06 -31.6 54.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.66 HG13 ' HD1' ' A' ' 633' ' ' PHE . 0.9 OUTLIER -69.68 -41.99 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.541 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.1 OUTLIER -71.97 -14.75 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.339 0.59 . . . . 0.0 109.939 179.225 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -79.52 -19.24 50.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.233 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 577' ' ' ARG . 20.4 mt -74.16 141.37 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.154 0.502 . . . . 0.0 110.643 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.61 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -90.63 117.0 67.65 Favored Pre-proline 0 N--CA 1.441 -0.891 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.455 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.625 ' HB3' ' HE2' ' A' ' 633' ' ' PHE . 38.1 Cg_endo -68.02 20.44 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.056 2.504 . . . . 0.0 112.056 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 570' ' ' LEU . 77.8 p -108.83 -6.64 15.73 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.633 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.96 -75.2 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 177.8 -148.19 8.52 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.777 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -111.61 2.88 17.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.956 0.407 . . . . 0.0 110.423 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.517 ' H ' ' HG3' ' A' ' 576' ' ' GLU . 0.0 OUTLIER -56.55 -45.71 81.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.526 ' HB3' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -67.93 -36.91 80.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.42 178.353 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.5 -47.84 84.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.186 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -40.24 95.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.401 0.62 . . . . 0.0 109.607 178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 68.7 m -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.775 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -57.66 -43.0 84.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.153 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 584' ' ' ALA . 6.8 pt -88.83 3.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.938 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.35 40.69 24.12 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.741 0.651 . . . . 0.0 109.344 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.447 ' HB2' HG13 ' A' ' 582' ' ' ILE . . . -61.8 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.97 -179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . 111.28 -111.81 3.03 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.381 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.55 19.02 10.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.58 -23.27 58.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.159 0.504 . . . . 0.0 110.345 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.54 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -58.82 -26.88 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.986 179.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 590' ' ' LEU . 0.8 OUTLIER -61.17 -33.38 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.317 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.505 HD22 HG12 ' A' ' 589' ' ' VAL . 1.1 mm? -67.78 -37.78 82.52 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.195 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' A' ' 618' ' ' ILE . 95.7 m-85 -67.84 -41.85 82.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.632 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.444 ' HA ' ' HD2' ' A' ' 597' ' ' TYR . 18.9 t-20 -60.29 -40.15 89.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.007 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.09 87.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.978 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.567 ' HB3' HG13 ' A' ' 596' ' ' ILE . 5.9 t30 -79.69 -11.26 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.247 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.82 19.16 48.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.106 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.597 HG22 HD21 ' A' ' 575' ' ' LEU . 9.3 mt -87.98 -105.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.799 -0.2 . . . . 0.0 110.657 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.615 ' HA ' HD11 ' A' ' 575' ' ' LEU . 25.8 p90 55.81 -17.44 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 596' ' ' ILE . 0.2 OUTLIER -111.31 173.85 6.15 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.074 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.412 ' HA ' ' SD ' ' A' ' 602' ' ' MET . 0.0 OUTLIER -79.33 159.86 27.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.11 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 604' ' ' ARG . . . 81.41 -47.96 3.72 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.844 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 596' ' ' ILE . 0.4 OUTLIER -60.93 -42.2 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.471 0.308 . . . . 0.0 111.427 -179.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -65.23 -42.95 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.624 0.25 . . . . 0.0 110.976 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.463 ' N ' ' HG2' ' A' ' 602' ' ' MET . 0.8 OUTLIER -68.72 -42.26 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -61.53 -44.23 97.42 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.341 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 608' ' ' LYS . 0.5 OUTLIER -65.32 -33.81 76.86 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.772 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.547 ' HA ' HD11 ' A' ' 612' ' ' ILE . 88.8 t80 -67.91 -36.74 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.668 0.747 . . . . 0.0 109.88 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.58 -45.14 91.79 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.854 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 605' ' ' GLU . 0.0 OUTLIER -78.53 -37.35 43.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.635 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 606' ' ' PHE . 78.1 m-70 -129.73 141.79 50.82 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -111.55 12.67 21.33 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -123.68 18.31 9.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.769 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.848 HD13 ' HE2' ' A' ' 630' ' ' PHE . 0.3 OUTLIER -50.68 -61.05 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.0 m-85 -58.29 -35.33 71.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.865 0.364 . . . . 0.0 111.357 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.74 -46.43 72.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.032 0.444 . . . . 0.0 111.06 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 612' ' ' ILE . 5.0 ptm85 -71.26 -31.27 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.476 HG22 ' HB2' ' A' ' 594' ' ' ASN . 35.1 pt -75.33 -25.3 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.282 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.48 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 106.89 34.31 3.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.12 -1.038 . . . . 0.0 114.107 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.544 HD11 ' CE1' ' A' ' 591' ' ' PHE . 18.7 mm -65.7 149.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.09 121.0 11.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.316 0.579 . . . . 0.0 109.576 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -34.37 71.37 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -12.15 60.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.921 0.391 . . . . 0.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.609 ' HB3' ' CE1' ' A' ' 626' ' ' TYR . 21.7 mtpt -118.45 -9.41 10.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.578 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.4 HD22 HG22 ' A' ' 528' ' ' THR . 13.2 tp -52.87 -40.97 63.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -46.96 86.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.012 0.434 . . . . 0.0 111.876 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -35.6 79.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.519 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 622' ' ' LYS . 2.6 m-85 -64.58 -48.69 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.973 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.95 -33.39 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.532 ' HG2' HG11 ' A' ' 561' ' ' VAL . 2.8 tp10 -61.65 -49.16 77.66 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . 0.739 ' HB2' HG21 ' A' ' 561' ' ' VAL . . . -67.62 -35.66 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.82 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.848 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.2 OUTLIER -58.46 -48.37 80.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.256 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 1.1 mm? -60.16 -38.45 83.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 635' ' ' ARG . 9.1 m -63.04 -46.05 89.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.335 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.66 ' HD1' HG13 ' A' ' 566' ' ' VAL . 2.1 t80 -62.98 -38.95 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.35 -40.78 91.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 4.8 mtp180 -66.95 -46.05 75.92 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 567' ' ' SER . 31.9 mt -65.94 -45.87 89.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.357 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -41.88 82.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.616 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 638' ' ' GLU . 0.0 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.143 179.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.746 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -62.79 -23.05 67.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.127 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 7.5 mtt -66.41 -39.81 89.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.079 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.62 -6.28 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.602 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 1.001 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.4 tp -65.23 125.1 88.69 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.858 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.78 64.56 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.826 2.35 . . . . 0.0 110.985 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 644' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.945 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.229 0.537 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -157.37 157.5 34.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -149.2 128.44 12.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.765 0.317 . . . . 0.0 111.21 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 138.18 49.07 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.455 ' HD1' ' HA ' ' A' ' 538' ' ' SER . 14.9 m-85 -85.64 141.14 30.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.323 0.582 . . . . 0.0 111.257 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' B' ' 533' ' ' ARG . 0.0 OUTLIER -122.34 149.83 43.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.71 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . 0.474 HG23 HG23 ' A' ' 536' ' ' THR . 0.1 OUTLIER -95.61 138.61 33.04 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . . . . . . . . . 16.9 tp -124.91 150.69 46.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.728 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.13 120.05 31.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.171 0.51 . . . . 0.0 109.804 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 542' ' ' TYR . 1.8 mm? -120.68 136.25 54.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.233 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 530' ' ' TYR . 0.1 OUTLIER -81.87 156.8 24.64 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 177.622 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -43.81 64.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -67.71 -45.59 74.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -79.44 -28.93 41.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.502 ' CE1' HD13 ' A' ' 535' ' ' LEU . 82.8 t80 -56.32 -51.32 68.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.356 -178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.869 HG22 ' HG ' ' B' ' 642' ' ' LEU . 0.9 OUTLIER -63.01 -35.17 79.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.26 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -44.3 87.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.272 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.13 -44.12 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.215 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 542' ' ' TYR . 55.0 t -59.7 -49.21 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 1.5 mm-40 -68.8 -36.44 78.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.613 ' HE2' HG22 ' A' ' 545' ' ' VAL . 1.3 t80 -57.79 -48.1 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.129 0.49 . . . . 0.0 110.005 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.588 ' HB3' ' NE ' ' B' ' 635' ' ' ARG . 19.8 mt -72.05 -26.77 62.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.181 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.47 77.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.1 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 8.2 mmt85 -65.45 -39.83 92.49 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.774 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' B' ' 632' ' ' SER . . . -77.1 -29.53 54.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.801 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -52.22 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.594 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 45.5 t -81.29 125.57 78.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.078 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.4 127.2 23.04 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.03 1.82 . . . . 0.0 111.889 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.72 19.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -98.61 161.43 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.123 0.487 . . . . 0.0 111.813 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -73.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.636 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -138.62 51.55 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 126.27 7.77 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-O 120.819 0.343 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.63 70.26 6.97 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.395 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . 0.408 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -73.0 -20.65 60.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.159 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -48.03 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.347 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 569' ' ' ILE . 13.7 p -75.26 -30.36 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.0 109.946 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.7 HG13 ' HD1' ' B' ' 633' ' ' PHE . 1.1 t -65.83 -39.18 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.639 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.434 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -72.72 -14.34 61.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.234 0.54 . . . . 0.0 110.191 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.29 -11.07 47.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.832 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.586 ' CD1' ' HA ' ' B' ' 566' ' ' VAL . 49.6 mt -78.49 145.54 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.193 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' B' ' 573' ' ' GLU . 0.8 OUTLIER -101.0 120.26 55.83 Favored Pre-proline 0 N--CA 1.436 -1.139 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 176.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.607 ' O ' ' HB2' ' B' ' 599' ' ' MET . 11.3 Cg_endo -56.24 -10.43 4.6 Favored 'Trans proline' 0 C--N 1.333 -0.264 0 C-N-CA 122.49 2.126 . . . . 0.0 112.495 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 30.1 p -79.87 -17.39 53.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.448 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 1.1 mt-10 -86.96 -1.16 57.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.101 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 91.43 166.84 40.49 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.133 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.475 HD21 HG22 ' B' ' 596' ' ' ILE . 0.2 OUTLIER -72.22 -10.45 59.8 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -39.41 73.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.613 0.244 . . . . 0.0 110.946 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -37.7 88.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.172 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -64.73 -41.58 95.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.273 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' B' ' 584' ' ' ALA . 0.3 OUTLIER -65.41 -42.25 92.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 73.9 m -61.39 -42.42 98.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.574 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.402 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.07 -43.64 78.16 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.827 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 626' ' ' TYR . 3.6 pt -88.19 5.86 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.45 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 61.63 35.57 17.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.052 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' B' ' 587' ' ' ASP . . . -68.81 -55.61 10.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.648 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . 76.67 -95.11 1.1 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.051 -0.595 . . . . 0.0 114.245 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -77.55 -13.29 59.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.737 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 2.6 m-20 -62.75 -25.61 68.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.724 0.297 . . . . 0.0 111.195 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.446 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.8 OUTLIER -60.4 -25.37 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 110.752 178.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 590' ' ' LEU . 0.3 OUTLIER -60.98 -33.3 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.466 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -64.57 -38.17 90.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.615 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' B' ' 618' ' ' ILE . 73.5 m-85 -68.49 -41.65 79.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.814 179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -61.64 -37.22 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.829 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.79 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.145 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.528 ' HB3' HG13 ' B' ' 596' ' ' ILE . 8.2 t30 -79.43 -13.16 59.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.976 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 89.36 22.5 37.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.06 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.528 HG13 ' HB3' ' B' ' 594' ' ' ASN . 13.0 mt -85.58 -101.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . 0.43 ' H ' ' HB ' ' B' ' 596' ' ' ILE . 21.4 p90 50.94 -3.32 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.07 173.75 6.23 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.607 ' HB2' ' O ' ' B' ' 571' ' ' PRO . 9.6 ttt -80.85 135.67 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 89.93 -37.3 3.37 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.962 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . 0.411 ' HB3' HG23 ' B' ' 596' ' ' ILE . 0.3 OUTLIER -58.85 -45.2 90.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.558 0.218 . . . . 0.0 111.427 -179.514 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.458 ' HB3' HD22 ' B' ' 575' ' ' LEU . 0.0 OUTLIER -64.73 -41.34 96.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.476 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -43.48 87.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.764 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -40.0 96.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.39 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.406 ' HB3' HG21 ' B' ' 612' ' ' ILE . 43.1 mm-40 -63.1 -39.0 93.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.977 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.678 ' HA ' HD11 ' B' ' 612' ' ' ILE . 2.1 t80 -66.1 -38.16 87.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.586 0.708 . . . . 0.0 110.217 179.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.27 -41.12 97.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -78.3 -38.75 41.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.915 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -131.25 139.46 49.65 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.414 ' HB2' ' CD2' ' B' ' 532' ' ' PHE . 2.2 p-10 -91.67 -6.67 51.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.965 0.412 . . . . 0.0 111.081 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 23.7 p-10 -125.77 42.54 3.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.125 0.488 . . . . 0.0 111.663 -178.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.799 HD13 ' HE2' ' B' ' 630' ' ' PHE . 0.5 OUTLIER -57.04 -56.75 13.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.704 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' B' ' 626' ' ' TYR . 2.9 m-85 -58.2 -38.9 77.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.616 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.596 ' HG3' HD21 ' B' ' 623' ' ' LEU . 0.2 OUTLIER -67.76 -36.98 81.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.265 0.555 . . . . 0.0 110.132 178.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 0.0 OUTLIER -69.09 -42.68 75.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.507 -179.267 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.409 HG22 ' HB2' ' B' ' 594' ' ' ASN . 48.5 pt -72.84 -22.41 19.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.32 4.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.001 -1.095 . . . . 0.0 114.021 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' B' ' 591' ' ' PHE . 21.0 mm -66.69 146.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.21 0.505 . . . . 0.0 109.757 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -64.66 126.47 28.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.027 0.442 . . . . 0.0 110.878 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -38.93 80.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.818 -178.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -5.99 20.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' B' ' 626' ' ' TYR . 13.1 mtpt -126.35 -3.02 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.922 0.392 . . . . 0.0 110.845 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.596 HD21 ' HG3' ' B' ' 614' ' ' GLU . 3.7 tp -54.3 -44.63 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -48.15 82.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.456 ' HG2' ' HD1' ' B' ' 626' ' ' TYR . 0.0 OUTLIER -64.11 -37.36 87.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.669 -179.272 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 622' ' ' LYS . 2.3 m-30 -65.76 -48.83 70.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.08 -37.36 87.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.756 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -48.53 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.38 83.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.496 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' B' ' 612' ' ' ILE . 0.5 OUTLIER -56.61 -50.0 73.27 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.2 179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.531 ' O ' ' HD3' ' B' ' 635' ' ' ARG . 1.1 mm? -64.13 -44.17 93.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.955 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' B' ' 553' ' ' ALA . 49.3 m -59.14 -44.33 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.165 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.7 ' HD1' HG13 ' B' ' 566' ' ' VAL . 12.7 t80 -61.36 -45.33 94.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.07 -42.23 94.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.588 ' NE ' ' HB3' ' B' ' 549' ' ' LEU . 2.7 mtp180 -60.84 -45.14 95.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' B' ' 567' ' ' SER . 70.5 mt -65.5 -44.61 94.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -41.42 81.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.909 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -73.01 -34.85 66.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.753 0.311 . . . . 0.0 110.327 179.159 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' B' ' 642' ' ' LEU . . . -61.93 -26.43 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.73 -38.5 83.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.599 0.714 . . . . 0.0 109.524 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -9.33 54.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.243 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' B' ' 543' ' ' THR . 3.3 tp -64.55 120.89 69.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.122 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 642' ' ' LEU . 9.2 Cg_endo -86.58 66.24 4.74 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.191 2.594 . . . . 0.0 110.739 178.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' B' ' 644' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.534 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.321 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -89.2 -121.85 0.05 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.752 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 1.2 p90 -161.55 170.8 19.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.644 0.259 . . . . 0.0 110.307 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.38 135.44 33.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.216 0.531 . . . . 0.0 112.332 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . 0.422 ' HE2' HD21 ' A' ' 631' ' ' LEU . 3.8 m-85 -92.39 141.67 28.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.419 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -128.34 148.34 50.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.964 0.411 . . . . 0.0 111.44 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.48 98.38 7.91 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.795 178.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 11.8 tp -88.03 142.62 27.64 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.651 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.54 121.6 33.37 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.4 mm? -120.26 133.13 55.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.509 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 87.7 p -84.81 156.4 21.36 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' B' ' 530' ' ' TYR . 0.2 OUTLIER -55.39 -29.9 59.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.011 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -68.25 -48.07 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 545' ' ' VAL . 0.0 OUTLIER -83.58 -28.16 28.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.813 0.339 . . . . 0.0 110.742 179.301 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' B' ' 535' ' ' LEU . 77.6 t80 -52.73 -48.43 66.7 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.704 -177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.761 HG22 ' HG ' ' A' ' 642' ' ' LEU . 40.0 p -66.03 -33.44 75.81 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.005 0.431 . . . . 0.0 110.825 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -43.39 83.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.035 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 541' ' ' GLU . 26.3 t -70.98 -44.78 75.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 111.808 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 542' ' ' TYR . 53.7 t -59.96 -48.5 87.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.775 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.1 OUTLIER -67.09 -33.39 75.38 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.311 -179.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.544 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 2.1 t80 -61.49 -49.74 75.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 548' ' ' PHE . 8.8 mt -71.02 -30.36 66.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.796 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.29 73.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.447 . . . . 0.0 109.919 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 11.6 mmt180 -63.8 -49.2 73.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.532 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.51 -32.54 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.589 ' HB2' ' HB3' ' A' ' 632' ' ' SER . . . -74.33 -23.56 59.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.52 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . 0.425 ' HA ' ' OG ' ' A' ' 567' ' ' SER . 18.7 mttt -92.78 -47.75 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.981 0.42 . . . . 0.0 110.404 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.22 116.29 59.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.692 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.32 129.34 33.09 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.148 2.565 . . . . 0.0 112.646 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.34 -25.53 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.475 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -148.39 149.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 1.6 m -89.2 99.98 12.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.071 0.462 . . . . 0.0 110.372 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 625' ' ' LYS . 20.2 t90 -165.68 -40.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.211 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 3.4 p -127.9 128.48 23.82 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.172 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.66 ' HG2' ' HA ' ' A' ' 582' ' ' ILE . 5.2 Cg_exo -76.14 61.92 6.64 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.881 2.387 . . . . 0.0 111.828 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . 0.442 ' HA ' ' HB ' ' A' ' 566' ' ' VAL . 0.0 OUTLIER -73.51 -26.96 61.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.873 -179.359 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . 0.508 ' H ' ' HG3' ' A' ' 564' ' ' GLN . 0.0 OUTLIER -56.46 -44.13 80.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.717 0.294 . . . . 0.0 111.676 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.578 HG13 ' HB1' ' A' ' 581' ' ' ALA . 7.5 p -78.91 -25.38 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.766 HG13 ' HD1' ' A' ' 633' ' ' PHE . 1.2 t -69.21 -38.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.142 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . 0.477 ' HB3' HD13 ' A' ' 636' ' ' ILE . 0.2 OUTLIER -71.6 -13.95 61.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.392 0.615 . . . . 0.0 110.343 179.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.07 -19.89 42.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.996 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 566' ' ' VAL . 0.2 OUTLIER -90.5 146.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.486 0.66 . . . . 0.0 111.657 -179.416 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.4 OUTLIER -102.34 138.02 19.58 Favored Pre-proline 0 C--N 1.313 -0.999 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.82 ' HD2' HD13 ' A' ' 570' ' ' LEU . 40.3 Cg_endo -68.91 19.58 0.15 Allowed 'Trans proline' 0 C--N 1.334 -0.23 0 C-N-CA 122.374 2.05 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.674 ' HA ' ' HB2' ' A' ' 599' ' ' MET . 19.1 p -107.71 -11.3 15.44 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.039 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 570' ' ' LEU . 0.2 OUTLIER -97.36 6.15 48.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.282 0.563 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . . . . . . . . . . . 101.34 -156.13 19.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.554 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.559 ' CD2' HG22 ' A' ' 596' ' ' ILE . 0.2 OUTLIER -119.14 -11.28 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.788 0.294 . . . . 0.0 110.999 179.464 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -38.62 67.87 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.441 ' HB3' HG21 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -66.63 -37.63 85.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.708 179.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -63.08 -38.89 93.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.667 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -64.94 -44.8 88.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 23.9 m -61.87 -37.32 84.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.715 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.578 ' HB1' HG13 ' A' ' 565' ' ' VAL . . . -56.36 -45.56 80.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.716 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.66 ' HA ' ' HG2' ' A' ' 562' ' ' PRO . 5.2 pt -93.37 5.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 62.82 39.38 10.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.661 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -117.37 52.51 0.97 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.332 0.587 . . . . 0.0 110.123 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -69.75 -12.74 67.95 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.477 -0.783 . . . . 0.0 114.664 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.87 -22.35 20.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.893 0.847 . . . . 0.0 110.537 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -74.6 -22.9 58.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.632 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.566 ' HA ' ' HD1' ' A' ' 591' ' ' PHE . 0.3 OUTLIER -57.75 -25.3 60.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.519 HG12 HD22 ' A' ' 590' ' ' LEU . 0.7 OUTLIER -59.23 -34.15 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.044 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.519 HD22 HG12 ' A' ' 589' ' ' VAL . 1.0 OUTLIER -65.44 -39.32 91.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.728 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.584 ' CE1' HD11 ' A' ' 618' ' ' ILE . 79.7 m-85 -68.61 -43.83 75.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.518 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -57.86 -44.45 86.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.496 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.9 82.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.567 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -81.36 -12.47 58.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.635 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.12 36.17 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.543 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.559 HG22 ' CD2' ' A' ' 575' ' ' LEU . 5.2 mt -104.05 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.752 0.311 . . . . 0.0 110.606 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -150.18 13.15 0.77 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.982 0.42 . . . . 0.0 110.563 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.14 172.45 6.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -177.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.674 ' HB2' ' HA ' ' A' ' 572' ' ' THR . 0.0 OUTLIER -81.34 136.97 35.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.318 -179.622 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -23.41 2.26 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.613 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 599' ' ' MET . 0.9 OUTLIER -57.81 -45.08 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.08 0.552 . . . . 0.0 111.42 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . . . . . . . . . 25.0 ttp -61.8 -46.05 91.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.632 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.93 -40.02 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.707 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -61.81 -47.22 86.11 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.744 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -64.73 -33.9 77.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.242 0.544 . . . . 0.0 110.112 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.672 ' HA ' HD11 ' A' ' 612' ' ' ILE . 31.7 t80 -64.73 -38.52 91.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.041 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -41.43 97.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.873 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -77.75 -27.41 50.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.522 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.457 ' HB2' HG13 ' A' ' 612' ' ' ILE . 74.7 m-70 -119.24 -147.04 0.39 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.969 0.414 . . . . 0.0 111.326 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.426 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 1.7 p-10 -168.45 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.73 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.05 41.0 3.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.988 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 606' ' ' PHE . 1.0 OUTLIER -55.2 -52.45 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.363 -179.393 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.569 ' HB3' HG13 ' A' ' 618' ' ' ILE . 2.2 m-85 -59.89 -41.99 92.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.145 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -38.86 92.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.463 0.649 . . . . 0.0 110.295 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -42.47 75.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.92 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 42.2 pt -67.6 -25.68 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . 0.43 ' C ' ' HG ' ' A' ' 590' ' ' LEU . . . 114.44 32.13 2.03 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.153 -1.022 . . . . 0.0 113.508 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 591' ' ' PHE . 22.0 mm -66.63 146.29 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.989 0.395 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.15 128.77 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 110.356 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.706 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.0 OUTLIER -64.99 -23.03 67.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -178.047 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -18.59 62.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.089 0.471 . . . . 0.0 110.495 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -118.42 -6.03 10.77 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 13.7 tp -54.68 -44.6 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.557 0.536 . . . . 0.0 112.378 -178.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -47.87 82.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.283 0.563 . . . . 0.0 111.502 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -69.37 -33.69 73.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.418 0.627 . . . . 0.0 109.734 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -51.53 69.46 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.755 -1.112 . . . . 0.0 111.695 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -65.84 -31.85 73.04 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.59 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.7 -50.16 70.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.309 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.425 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.467 ' HE2' HD13 ' A' ' 612' ' ' ILE . 1.3 t80 -63.1 -50.49 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.737 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.575 ' O ' ' HD3' ' A' ' 635' ' ' ARG . 3.4 mm? -66.7 -40.8 88.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.711 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.589 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 50.8 m -60.94 -39.14 88.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.931 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.766 ' HD1' HG13 ' A' ' 566' ' ' VAL . 28.0 t80 -63.51 -45.92 88.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -60.46 -38.18 83.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.59 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 631' ' ' LEU . 0.2 OUTLIER -65.62 -41.75 92.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.262 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.542 HD11 ' HB1' ' A' ' 553' ' ' ALA . 76.7 mt -61.54 -47.28 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 109.997 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 637' ' ' GLN . 8.1 tp60 -61.13 -42.93 99.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.161 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.26 -38.55 90.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.0 109.984 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.558 ' HA ' HD22 ' A' ' 642' ' ' LEU . . . -63.24 -27.03 69.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.507 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 3.8 mmm -68.57 -32.92 73.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.306 0.574 . . . . 0.0 109.717 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -4.94 45.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.949 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.761 ' HG ' HG22 ' A' ' 543' ' ' THR . 1.2 tp -57.67 123.51 63.17 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.163 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -87.47 8.49 4.25 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.815 2.343 . . . . 0.0 112.348 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.477 ' HB3' HG21 ' A' ' 543' ' ' THR . 5.8 ttpp . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 121.125 0.488 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -120.57 -160.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.82 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.535 ' HB2' ' OG1' ' A' ' 539' ' ' THR . 0.2 OUTLIER -137.33 149.2 46.85 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.132 -179.043 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.24 138.83 52.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.24 0.543 . . . . 0.0 110.622 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' B' ' 631' ' ' LEU . 9.1 m-85 -89.24 131.68 35.23 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.386 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 147.71 51.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 137.9 34.52 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 120.935 0.398 . . . . 0.0 110.477 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 542' ' ' TYR . 14.9 tp -118.03 143.74 46.17 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.43 120.59 32.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.035 0.445 . . . . 0.0 110.394 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.585 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.6 OUTLIER -123.71 126.69 46.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.104 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' B' ' 542' ' ' TYR . 0.7 OUTLIER -81.97 155.04 25.42 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.237 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.752 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.2 OUTLIER -52.63 -40.71 63.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -63.35 -46.67 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -81.29 -27.64 34.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.441 . . . . 0.0 111.086 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.585 ' HD1' ' HB3' ' B' ' 537' ' ' LEU . 67.4 t80 -53.42 -51.44 62.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.37 -177.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.895 HG22 ' HG ' ' B' ' 642' ' ' LEU . 24.6 p -64.6 -35.81 82.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.021 0.439 . . . . 0.0 110.733 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -66.72 -44.54 81.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.147 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.44 HG21 HD11 ' B' ' 537' ' ' LEU . 20.9 t -70.4 -45.3 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.525 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 542' ' ' TYR . 53.3 t -59.65 -50.8 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.56 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.768 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.1 OUTLIER -68.52 -32.79 73.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 -179.348 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.504 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.5 OUTLIER -58.14 -47.29 83.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 11.7 mt -72.19 -35.52 68.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.093 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.34 73.91 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.825 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.768 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 19.7 mmt85 -65.04 -43.27 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.403 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.65 -34.03 76.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.364 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' B' ' 636' ' ' ILE . . . -77.02 -32.97 57.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.972 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -74.8 -57.9 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 110.017 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.48 122.11 58.29 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.789 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' B' ' 564' ' ' GLN . 18.6 Cg_endo -57.69 127.5 25.52 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.38 2.054 . . . . 0.0 111.622 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -125.93 -10.94 6.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.665 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.47 131.09 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.34 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.47 109.55 19.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -174.39 -55.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.057 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . . . . . . . . . 3.4 p -115.47 133.0 22.82 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.214 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.82 69.18 1.69 Allowed 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.783 2.322 . . . . 0.0 112.028 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -36.92 80.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.565 ' HB3' ' HD3' ' B' ' 556' ' ' PRO . 0.0 OUTLIER -56.67 -49.12 76.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.499 -179.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.586 ' O ' HG13 ' B' ' 569' ' ' ILE . 11.0 p -69.96 -32.35 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.163 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.868 ' HA ' HD12 ' B' ' 569' ' ' ILE . 1.4 t -65.01 -42.77 95.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.405 ' HB3' HD13 ' B' ' 636' ' ' ILE . 1.3 p -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.424 0.63 . . . . 0.0 109.557 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.1 -25.43 62.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.9 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' B' ' 566' ' ' VAL . 18.5 mt -76.83 130.55 36.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.58 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -87.22 122.38 70.96 Favored Pre-proline 0 N--CA 1.437 -1.1 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 176.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' B' ' 570' ' ' LEU . 26.1 Cg_endo -64.61 6.91 0.28 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.067 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.81 ' HA ' ' HB2' ' B' ' 599' ' ' MET . 54.6 p -95.92 -3.63 44.91 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 570' ' ' LEU . 0.8 OUTLIER -102.66 2.6 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.364 0.602 . . . . 0.0 109.629 178.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . . . . . . . . . . . 105.94 -144.18 15.79 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.331 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.57 ' CD2' HG22 ' B' ' 596' ' ' ILE . 0.1 OUTLIER -126.97 -2.3 6.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.766 0.283 . . . . 0.0 111.206 179.736 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -45.02 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.844 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.0 -47.12 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' B' ' 588' ' ' SER . 0.1 OUTLIER -61.84 -42.13 98.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.36 0.6 . . . . 0.0 109.578 178.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 55.0 m -62.52 -39.64 94.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.2 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -58.37 -41.52 84.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.136 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.532 ' HB ' ' HE3' ' B' ' 625' ' ' LYS . 5.4 pt -95.23 5.27 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.07 -178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt 61.77 42.01 11.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.639 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . . . . . . . . . . . -120.41 55.71 1.01 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -79.6 24.05 3.32 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.725 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -122.39 -27.32 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.79 0.805 . . . . 0.0 109.681 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.72 -20.5 59.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.25 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.581 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -56.33 -25.91 50.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.885 179.739 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.559 HG12 HD22 ' B' ' 590' ' ' LEU . 1.6 p -58.99 -34.54 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.119 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.559 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -66.64 -36.6 82.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.065 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.581 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 87.3 m-85 -67.44 -42.75 82.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.751 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.36 -35.47 73.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.364 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.79 91.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.33 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . 0.854 HD22 HD11 ' B' ' 596' ' ' ILE . 56.3 t30 -79.76 -11.93 59.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 94.34 20.59 29.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.23 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.854 HD11 HD22 ' B' ' 594' ' ' ASN . 2.9 mt -100.5 90.18 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.64 0.257 . . . . 0.0 110.887 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.61 12.11 2.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.067 0.46 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.37 173.83 8.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.215 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.81 ' HB2' ' HA ' ' B' ' 572' ' ' THR . 3.9 ptt? -80.32 152.71 28.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.536 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 77.23 -41.45 1.81 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -39.46 69.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.805 0.442 . . . . 0.0 111.85 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.1 ttm -58.69 -48.85 79.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.243 0.544 . . . . 0.0 110.319 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . 0.759 HG12 ' HG2' ' B' ' 637' ' ' GLN . 1.1 mp -69.78 -41.91 79.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.384 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -58.55 -42.02 86.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.684 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.803 ' HB3' HG12 ' B' ' 612' ' ' ILE . 0.7 OUTLIER -65.06 -33.33 75.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.049 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.936 ' HA ' HD11 ' B' ' 612' ' ' ILE . 76.7 t80 -67.31 -39.25 85.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.708 0.289 . . . . 0.0 110.546 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' B' ' 603' ' ' ILE . 21.5 mt-10 -72.94 -44.74 60.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.16 0.505 . . . . 0.0 110.49 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -77.4 -29.41 53.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.515 ' O ' ' HB3' ' B' ' 610' ' ' ASN . 8.0 m-70 -123.89 -50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.515 ' HB3' ' O ' ' B' ' 609' ' ' HIS . 11.2 t-20 77.05 -43.17 0.43 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.211 0.604 . . . . 0.0 111.38 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 615' ' ' ARG . 14.1 t70 -93.36 33.31 1.24 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.936 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.4 OUTLIER -60.08 -56.48 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.984 -178.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . 0.415 ' HB3' HG13 ' B' ' 618' ' ' ILE . 2.1 m-85 -57.96 -41.56 83.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.451 ' HG2' HD11 ' B' ' 623' ' ' LEU . 0.9 OUTLIER -68.2 -36.29 79.31 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.146 0.498 . . . . 0.0 110.049 178.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 611' ' ' ASP . 1.6 ttt-85 -70.18 -42.35 72.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.798 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . 0.697 HG22 ' HB2' ' B' ' 594' ' ' ASN . 34.3 pt -68.27 -26.38 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' B' ' 590' ' ' LEU . . . 110.32 35.6 2.09 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.623 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 591' ' ' PHE . 23.9 mm -65.88 144.51 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.24 136.65 56.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.892 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 0.0 OUTLIER -64.19 -32.94 74.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.015 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -15.95 63.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.93 0.395 . . . . 0.0 111.24 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 626' ' ' TYR . 5.4 mtmp? -117.02 -10.31 10.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 11.2 tp -54.5 -45.22 73.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -47.95 82.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . 0.532 ' HE3' ' HB ' ' B' ' 582' ' ' ILE . 0.2 OUTLIER -70.28 -34.02 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.429 0.633 . . . . 0.0 109.74 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' B' ' 622' ' ' LYS . 0.2 OUTLIER -59.72 -52.99 63.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.373 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.16 -32.64 74.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -50.67 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.88 -48.18 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.09 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -56.31 -49.29 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.491 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 3.7 mm? -62.88 -44.87 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 17.4 m -62.5 -37.11 84.74 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 110.552 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' B' ' 636' ' ' ILE . 0.5 OUTLIER -64.98 -41.52 95.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.886 179.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.7 -38.16 84.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 0.9 OUTLIER -59.89 -41.49 91.73 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.378 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.476 HD11 ' HB1' ' B' ' 553' ' ' ALA . 28.2 mt -65.41 -45.66 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.319 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.759 ' HG2' HG12 ' B' ' 603' ' ' ILE . 9.2 tp60 -57.6 -42.81 83.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.315 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.14 -35.0 79.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.199 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.655 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -62.96 -28.58 70.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . . . . . . . . . 10.5 mtt -69.67 -23.28 63.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 109.455 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . 0.524 ' HE3' ' HG3' ' B' ' 637' ' ' GLN . 0.0 OUTLIER -95.79 -5.9 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.613 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.895 ' HG ' HG22 ' B' ' 543' ' ' THR . 0.3 OUTLIER -64.23 119.67 58.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.708 -179.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -82.84 -7.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.839 2.359 . . . . 0.0 111.947 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.432 ' HB2' HG21 ' B' ' 543' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.565 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.471 0.653 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -119.02 176.72 5.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.185 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' TYR . . . . . 0.642 ' HB2' ' OG1' ' B' ' 539' ' ' THR . 0.2 OUTLIER -135.85 148.83 48.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.12 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.47 121.57 13.04 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.939 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.02 128.88 35.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.558 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 137.88 53.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.949 0.404 . . . . 0.0 111.264 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 104.63 16.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.943 178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.492 HD22 ' HE1' ' B' ' 542' ' ' TYR . 1.7 tp -105.07 150.25 25.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.175 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.54 121.95 32.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.348 0.594 . . . . 0.0 109.711 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 542' ' ' TYR . 1.0 OUTLIER -110.2 129.04 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.209 -179.017 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.648 ' HB2' ' CE1' ' B' ' 530' ' ' TYR . 85.8 p -78.56 157.6 28.74 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -28.09 63.32 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ALA . . . . . . . . . . . . . . . -71.35 -48.0 52.96 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 541' ' ' GLU . 0.5 OUTLIER -82.62 -27.67 31.27 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . 0.563 ' HA ' HD12 ' A' ' 537' ' ' LEU . 70.2 t80 -52.89 -50.2 64.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.883 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.997 HG22 ' HG ' ' A' ' 642' ' ' LEU . 2.2 p -66.99 -34.96 78.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.32 0.581 . . . . 0.0 110.76 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -65.9 -44.4 85.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.24 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' B' ' 549' ' ' LEU . 54.3 t -71.39 -44.22 72.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.678 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 542' ' ' TYR . 52.3 t -59.72 -49.5 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.942 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 551' ' ' ARG . 0.2 OUTLIER -65.78 -34.27 77.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.096 -179.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' PHE . . . . . 0.598 ' CD2' ' HG ' ' A' ' 549' ' ' LEU . 3.1 t80 -59.21 -51.53 69.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.182 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . 0.632 ' HB2' ' HG2' ' A' ' 635' ' ' ARG . 7.1 mt -72.27 -27.53 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.716 0.293 . . . . 0.0 111.33 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 547' ' ' GLU . 15.2 mmt85 -66.13 -40.24 90.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.434 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.425 ' HG3' ' HA ' ' A' ' 549' ' ' LEU . 2.0 mt-10 -67.94 -32.15 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.275 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 636' ' ' ILE . . . -77.86 -38.69 45.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.75 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -71.37 -55.57 7.72 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.141 0.496 . . . . 0.0 110.42 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 556' ' ' PRO . 72.4 t -94.44 118.55 66.97 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 555' ' ' VAL . 3.5 Cg_endo -46.26 124.19 7.42 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.548 2.165 . . . . 0.0 113.126 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -141.84 6.49 1.81 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.057 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -115.62 124.73 51.68 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.348 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -21.03 17.94 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.497 0.665 . . . . 0.0 110.029 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.412 ' HZ3' ' CA ' ' A' ' 625' ' ' LYS . 2.7 t90 -80.24 -45.7 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.761 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 562' ' ' PRO . 4.3 p -127.24 131.89 24.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.036 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 561' ' ' VAL . 45.9 Cg_exo -57.46 129.9 36.31 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 111.752 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.44 -35.63 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.9 78.34 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.66 -30.76 49.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.31 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.757 HG13 ' HD2' ' A' ' 633' ' ' PHE . 1.2 t -70.7 -40.63 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.44 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -14.14 61.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.405 0.621 . . . . 0.0 110.127 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -10.97 59.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.59 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.589 HG12 ' HD2' ' A' ' 577' ' ' ARG . 2.7 mt -90.45 145.5 7.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.694 HD13 ' HD2' ' A' ' 571' ' ' PRO . 0.9 OUTLIER -94.39 123.52 58.3 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' PRO . . . . . 0.694 ' HD2' HD13 ' A' ' 570' ' ' LEU . 33.7 Cg_endo -65.6 11.9 0.13 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.142 2.562 . . . . 0.0 113.078 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 570' ' ' LEU . 21.8 p -103.34 -8.55 20.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.35 0.595 . . . . 0.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.28 -118.31 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.648 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.446 ' HA3' ' OE1' ' A' ' 576' ' ' GLU . . . -143.02 159.86 27.47 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.217 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.567 HD11 ' HA ' ' A' ' 597' ' ' TYR . 0.1 OUTLIER -68.88 -3.9 14.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.498 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.446 ' OE1' ' HA3' ' A' ' 574' ' ' GLY . 5.7 pm0 -55.62 -40.03 71.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.713 0.292 . . . . 0.0 110.501 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' ARG . . . . . 0.589 ' HD2' HG12 ' A' ' 569' ' ' ILE . 0.0 OUTLIER -69.73 -41.26 75.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 110.131 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.007 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 588' ' ' SER . 0.1 OUTLIER -65.37 -42.73 92.42 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.787 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' THR . . . . . . . . . . . . . 51.6 m -60.33 -37.6 81.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.111 0.481 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.45 75.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.514 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.477 ' HB ' ' HE2' ' A' ' 625' ' ' LYS . 7.7 pt -102.38 9.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.417 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 41.37 6.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 587' ' ' ASP . . . -102.73 54.01 0.78 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.672 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLY . . . . . . . . . . . . . . . -66.63 -16.41 65.54 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.727 -0.669 . . . . 0.0 114.073 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -111.15 -28.87 8.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.805 0.803 . . . . 0.0 111.743 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.57 ' HB2' ' HB1' ' A' ' 584' ' ' ALA . 2.5 m-20 -64.62 -23.19 67.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.636 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' SER . . . . . 0.518 ' HB3' HD23 ' A' ' 579' ' ' LEU . 0.0 OUTLIER -58.65 -26.06 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.491 179.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' VAL . . . . . 0.456 HG12 HD22 ' A' ' 590' ' ' LEU . 0.5 OUTLIER -62.69 -33.87 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.45 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' LEU . . . . . 0.456 HD22 HG12 ' A' ' 589' ' ' VAL . 1.2 mm? -63.55 -37.76 88.56 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.552 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 618' ' ' ILE . 80.1 m-85 -68.67 -41.39 79.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.404 178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.47 -40.86 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.352 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.63 83.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.274 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -81.5 -10.13 59.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.125 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' GLY . . . . . . . . . . . . . . . 86.66 23.93 40.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.394 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 591' ' ' PHE . 15.7 mt -89.78 -97.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 122.156 0.182 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 575' ' ' LEU . 21.3 p90 54.1 -2.7 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.528 1.531 . . . . 0.0 115.025 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.63 147.71 33.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 118.138 0.426 . . . . 0.0 110.526 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' A' ' 571' ' ' PRO . 0.1 OUTLIER -81.08 143.09 32.7 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 96.92 -42.31 2.2 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -39.99 92.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.92 -0.64 . . . . 0.0 109.503 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' MET . . . . . 0.42 ' HG2' ' N ' ' A' ' 603' ' ' ILE . 0.0 OUTLIER -64.95 -34.48 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.485 178.638 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 602' ' ' MET . 1.7 mt -67.92 -39.87 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -44.18 91.52 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.849 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.74 -33.91 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.02 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' PHE . . . . . 0.716 ' HA ' HD11 ' A' ' 612' ' ' ILE . 47.0 t80 -66.81 -38.04 85.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.125 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.38 -42.93 74.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.65 -36.91 65.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.483 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 610' ' ' ASN . 52.4 m-70 -118.37 -138.18 0.35 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.448 ' H ' ' HB3' ' A' ' 609' ' ' HIS . 2.6 p30 -173.11 -32.49 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 615' ' ' ARG . 2.5 t0 -105.56 39.36 1.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.272 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 606' ' ' PHE . 0.9 OUTLIER -54.68 -55.13 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.316 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' PHE . . . . . 0.46 ' CD2' ' HB3' ' A' ' 626' ' ' TYR . 3.1 m-85 -58.43 -44.49 89.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -36.69 84.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.19 0.519 . . . . 0.0 110.306 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 611' ' ' ASP . 0.2 OUTLIER -66.32 -43.04 87.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.306 -179.507 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 40.8 pt -71.86 -23.62 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . 113.27 30.64 2.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.112 -1.042 . . . . 0.0 113.747 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.518 HD11 ' CE1' ' A' ' 591' ' ' PHE . 24.1 mm -68.77 145.69 13.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 116.969 0.385 . . . . 0.0 110.212 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.493 ' OD2' ' HE2' ' A' ' 622' ' ' LYS . 21.0 t70 -65.32 130.56 43.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.916 0.389 . . . . 0.0 111.146 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.795 ' HA ' ' HB2' ' A' ' 623' ' ' LEU . 0.7 OUTLIER -68.58 -30.96 69.83 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -13.97 60.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.721 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.762 ' HB3' ' HD3' ' A' ' 625' ' ' LYS . 31.1 mtmt -127.88 3.17 5.98 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' LEU . . . . . 0.795 ' HB2' ' HA ' ' A' ' 620' ' ' SER . 10.4 tp -53.85 -44.75 70.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.002 -177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 628' ' ' GLU . 0.0 OUTLIER -59.99 -46.99 87.64 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.98 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' LYS . . . . . 0.762 ' HD3' ' HB3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -63.91 -37.58 87.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.254 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 613' ' ' PHE . 2.8 m-85 -67.18 -48.72 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.097 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -65.33 -35.27 80.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.409 ' HB3' HG11 ' A' ' 561' ' ' VAL . 1.6 tp10 -59.87 -49.0 79.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.347 0.594 . . . . 0.0 110.611 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.81 -35.28 78.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.903 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' PHE . . . . . 0.678 ' HE2' HD13 ' A' ' 612' ' ' ILE . 0.6 OUTLIER -60.17 -49.93 75.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.412 -179.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 631' ' ' LEU . 2.5 mm? -63.13 -43.89 97.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 111.152 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.561 ' HB3' ' HB2' ' A' ' 553' ' ' ALA . 19.2 m -63.04 -37.6 87.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' PHE . . . . . 0.757 ' HD2' HG13 ' A' ' 566' ' ' VAL . 15.6 t80 -65.47 -45.08 85.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.96 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.16 -38.33 82.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.632 ' HG2' ' HB2' ' A' ' 549' ' ' LEU . 0.0 OUTLIER -62.52 -41.01 98.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.639 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.591 HD11 ' HB1' ' A' ' 553' ' ' ALA . 53.2 mt -63.38 -48.67 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -41.62 89.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.579 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.81 -41.19 87.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 642' ' ' LEU . . . -63.98 -26.77 68.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.566 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -35.5 74.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.798 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -4.8 43.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.997 ' HG ' HG22 ' A' ' 543' ' ' THR . 2.8 tp -56.42 119.88 31.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.615 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 642' ' ' LEU . 54.1 Cg_endo -95.99 -133.32 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 123.62 2.88 . . . . 0.0 110.901 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' LYS . . . . . 0.478 ' H ' ' HB2' ' A' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.102 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 528' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.051 0.453 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -74.44 171.31 13.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 530' ' ' TYR . . . . . 0.648 ' CE1' ' HB2' ' A' ' 538' ' ' SER . 0.3 OUTLIER -141.06 159.97 41.07 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.08 -178.818 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 531' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 133.7 51.33 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.145 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 532' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -88.08 131.98 34.47 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.43 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 533' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -109.79 128.38 55.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.734 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 534' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.41 111.86 17.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.066 0.46 . . . . 0.0 110.747 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 535' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 542' ' ' TYR . 17.5 tp -100.84 139.75 36.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.91 120.9 33.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.301 0.572 . . . . 0.0 111.091 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 537' ' ' LEU . . . . . 0.458 ' HB3' ' HD1' ' B' ' 542' ' ' TYR . 0.8 OUTLIER -121.92 124.42 44.02 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.496 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 538' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.6 156.05 25.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 539' ' ' THR . . . . . 0.642 ' OG1' ' HB2' ' A' ' 530' ' ' TYR . 0.0 OUTLIER -50.46 -44.85 55.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 540' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.38 89.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 541' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 541' ' ' GLU . 0.0 OUTLIER -82.48 -29.65 30.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.938 0.399 . . . . 0.0 111.469 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 542' ' ' TYR . . . . . 0.492 ' HE1' HD22 ' A' ' 535' ' ' LEU . 76.9 t80 -54.21 -52.51 61.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -176.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 543' ' ' THR . . . . . 0.807 HG22 ' HG ' ' B' ' 642' ' ' LEU . 29.8 p -62.99 -37.2 86.2 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.916 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 544' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.88 -44.71 80.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 545' ' ' VAL . . . . . 0.443 HG22 ' HE2' ' A' ' 548' ' ' PHE . 97.9 t -70.79 -43.93 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.382 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' B' ' 639' ' ' ALA . 54.1 t -59.94 -49.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.998 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 547' ' ' GLU . . . . . 0.771 ' O ' ' HG2' ' B' ' 551' ' ' ARG . 0.0 OUTLIER -63.22 -36.48 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.551 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 548' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' B' ' 549' ' ' LEU . 0.4 OUTLIER -58.3 -47.13 84.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.781 -179.309 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 549' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' B' ' 548' ' ' PHE . 16.2 mt -71.22 -29.91 65.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 550' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.23 76.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.628 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 551' ' ' ARG . . . . . 0.771 ' HG2' ' O ' ' B' ' 547' ' ' GLU . 21.0 mmt85 -66.96 -42.82 84.53 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.262 0.553 . . . . 0.0 109.67 179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 552' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' B' ' 557' ' ' ARG . 0.1 OUTLIER -62.88 -43.25 99.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.011 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' B' ' 636' ' ' ILE . . . -77.68 -17.93 57.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.994 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -80.44 -52.12 8.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.102 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 555' ' ' VAL . . . . . . . . . . . . . 4.1 m -85.28 155.54 60.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.991 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 556' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -65.4 124.1 12.41 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 108.92 -1.223 . . . . 0.0 108.92 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 557' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' B' ' 552' ' ' GLU . 1.5 ttt180 -167.0 23.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.347 0.594 . . . . 0.0 110.038 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 558' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -142.66 132.45 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.774 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 559' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -27.92 9.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.033 0.444 . . . . 0.0 111.056 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 560' ' ' TRP . . . . . 0.746 ' HH2' ' HB2' ' B' ' 624' ' ' SER . 22.7 t90 -78.73 -39.9 35.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.626 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 561' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' B' ' 628' ' ' GLU . 2.5 p -118.64 127.49 26.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 562' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.78 63.46 8.74 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.763 2.309 . . . . 0.0 112.468 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 563' ' ' THR . . . . . 0.416 ' HA ' ' HB ' ' B' ' 566' ' ' VAL . 0.0 OUTLIER -74.7 -19.37 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.299 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -58.52 -40.2 82.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.803 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' B' ' 581' ' ' ALA . 8.0 p -81.4 -21.36 10.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 566' ' ' VAL . . . . . 0.786 HG13 ' HD2' ' B' ' 633' ' ' PHE . 1.2 t -70.44 -37.76 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.976 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 567' ' ' SER . . . . . 0.423 ' HB3' HD13 ' B' ' 636' ' ' ILE . 0.1 OUTLIER -70.85 -14.08 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.235 0.541 . . . . 0.0 110.502 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 568' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -19.23 53.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 569' ' ' ILE . . . . . . . . . . . . . 1.6 mt -82.47 145.49 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.315 0.578 . . . . 0.0 111.326 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 570' ' ' LEU . . . . . 0.708 HD13 ' HD2' ' B' ' 571' ' ' PRO . 0.8 OUTLIER -93.81 126.97 47.43 Favored Pre-proline 0 C--N 1.318 -0.796 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.852 178.008 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 571' ' ' PRO . . . . . 0.817 ' HA ' ' HG3' ' B' ' 599' ' ' MET . 44.3 Cg_endo -69.97 15.82 0.24 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.922 2.414 . . . . 0.0 112.044 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 570' ' ' LEU . 81.3 p -102.51 -4.79 24.81 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.142 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 573' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -104.29 -130.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.442 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 574' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' B' ' 599' ' ' MET . . . -115.57 -153.83 10.36 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.619 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 575' ' ' LEU . . . . . 0.616 HD22 ' SD ' ' B' ' 602' ' ' MET . 0.0 OUTLIER -115.54 -2.33 12.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.978 0.418 . . . . 0.0 110.322 -179.473 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 576' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.35 -42.69 74.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 577' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -37.36 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 578' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -65.23 -44.98 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.474 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 579' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' B' ' 584' ' ' ALA . 0.2 OUTLIER -65.32 -44.15 88.75 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.402 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 580' ' ' THR . . . . . . . . . . . . . 37.6 m -60.57 -37.16 80.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.168 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 581' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' B' ' 565' ' ' VAL . . . -56.94 -43.14 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.492 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 582' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' B' ' 584' ' ' ALA . 3.4 pt -94.58 9.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.121 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 583' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.22 40.91 14.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.24 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 584' ' ' ALA . . . . . 0.527 ' HB3' HD12 ' B' ' 579' ' ' LEU . . . -97.82 49.89 1.03 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.839 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 585' ' ' GLY . . . . . . . . . . . . . . . -74.25 62.63 2.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 586' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 179.32 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.409 0.624 . . . . 0.0 109.525 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 587' ' ' ASP . . . . . 0.499 ' HB2' ' HB1' ' B' ' 584' ' ' ALA . 12.4 m-20 -65.17 -24.69 67.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.051 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 588' ' ' SER . . . . . 0.568 ' HA ' ' HD1' ' B' ' 591' ' ' PHE . 0.0 OUTLIER -59.09 -25.9 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.829 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 589' ' ' VAL . . . . . 0.471 HG12 HD22 ' B' ' 590' ' ' LEU . 0.8 OUTLIER -62.18 -33.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.369 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 590' ' ' LEU . . . . . 0.471 HD22 HG12 ' B' ' 589' ' ' VAL . 1.2 mm? -65.39 -38.82 91.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.566 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 591' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' B' ' 588' ' ' SER . 85.0 m-85 -67.99 -41.53 82.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.159 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 592' ' ' ASN . . . . . 0.439 ' HA ' ' HD2' ' B' ' 597' ' ' TYR . 5.5 t-20 -62.46 -40.49 96.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.279 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 593' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.46 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.842 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 594' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -80.31 -11.77 59.68 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.349 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 595' ' ' GLY . . . . . . . . . . . . . . . 88.43 17.5 56.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.639 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 596' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' B' ' 591' ' ' PHE . 17.4 mt -81.73 -95.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 597' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' B' ' 575' ' ' LEU . 40.7 p90 52.15 -5.34 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 598' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 596' ' ' ILE . 0.0 OUTLIER -113.09 147.65 36.86 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.662 -0.649 . . . . 0.0 110.41 178.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 599' ' ' MET . . . . . 0.817 ' HG3' ' HA ' ' B' ' 571' ' ' PRO . 0.0 OUTLIER -81.44 150.92 28.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 600' ' ' GLY . . . . . . . . . . . . . . . 94.97 -46.41 2.06 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.27 -35.98 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.366 0.603 . . . . 0.0 109.426 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.616 ' SD ' HD22 ' B' ' 575' ' ' LEU . 3.3 ttp -62.56 -39.26 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.692 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.93 -41.36 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.362 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -62.52 -43.32 99.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.653 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.79 -36.11 82.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.125 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' PHE . . . . . 0.642 ' HA ' HD11 ' B' ' 612' ' ' ILE . 35.3 t80 -65.85 -41.15 92.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.282 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.31 -42.58 88.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.718 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -76.22 -30.48 57.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.49 ' HB3' ' H ' ' B' ' 610' ' ' ASN . 41.8 m-70 -117.55 -138.27 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' B' ' 609' ' ' HIS . 1.2 p30 175.23 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -102.91 34.21 2.95 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.553 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' B' ' 606' ' ' PHE . 0.7 OUTLIER -57.63 -61.28 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -178.124 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.75 -41.67 82.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.366 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.85 -37.05 83.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.272 0.558 . . . . 0.0 110.27 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.39 -42.27 92.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.19 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' ILE . . . . . . . . . . . . . 38.3 pt -73.07 -23.72 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.794 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 112.69 27.25 3.87 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.204 -0.998 . . . . 0.0 113.836 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' B' ' 591' ' ' PHE . 22.8 mm -66.44 146.16 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.58 ' HB3' ' HE2' ' B' ' 622' ' ' LYS . 8.6 t0 -64.66 120.31 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.773 ' HA ' ' HB2' ' B' ' 623' ' ' LEU . 1.5 m -71.24 -14.99 62.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.685 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.8 -18.69 61.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.863 -0.523 . . . . 0.0 110.398 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' LYS . . . . . 0.58 ' HE2' ' HB3' ' B' ' 619' ' ' ASP . 15.8 mtmt -128.38 2.6 5.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.576 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' LEU . . . . . 0.773 ' HB2' ' HA ' ' B' ' 620' ' ' SER . 13.4 tp -53.01 -36.96 61.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.396 0.678 . . . . 0.0 112.608 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 624' ' ' SER . . . . . 0.746 ' HB2' ' HH2' ' B' ' 560' ' ' TRP . 0.0 OUTLIER -59.02 -47.39 85.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.947 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 625' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.92 82.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 626' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.78 -47.43 85.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.699 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 627' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -65.03 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.297 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.761 ' HG2' HG11 ' B' ' 561' ' ' VAL . 1.6 tp10 -60.86 -48.77 80.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 109.716 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.56 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.435 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 630' ' ' PHE . . . . . 0.561 ' HE2' HD13 ' B' ' 612' ' ' ILE . 1.3 t80 -58.94 -49.47 77.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 631' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' B' ' 635' ' ' ARG . 1.2 mm? -64.24 -44.15 92.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.762 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 632' ' ' SER . . . . . . . . . . . . . 20.2 m -60.55 -42.38 96.43 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 633' ' ' PHE . . . . . 0.786 ' HD2' HG13 ' B' ' 566' ' ' VAL . 14.4 t80 -63.5 -37.83 88.82 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.202 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -60.08 -41.72 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.369 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' B' ' 631' ' ' LEU . 27.3 mmt180 -66.55 -46.22 76.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.242 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 640' ' ' MET . 77.0 mt -60.83 -45.56 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.51 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.494 ' HB3' HE21 ' B' ' 637' ' ' GLN . 0.0 OUTLIER -58.34 -46.26 86.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.834 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' B' ' 638' ' ' GLU . 0.0 OUTLIER -65.78 -39.99 91.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.518 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . 0.576 ' HA ' HD22 ' B' ' 642' ' ' LEU . . . -61.62 -27.09 68.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.309 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' B' ' 636' ' ' ILE . 21.1 mtt -67.5 -33.28 74.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.271 0.558 . . . . 0.0 109.835 179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -4.88 42.71 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.288 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' LEU . . . . . 0.807 ' HG ' HG22 ' B' ' 543' ' ' THR . 1.4 tp -53.01 114.72 6.27 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.731 -178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' PRO . . . . . 0.445 ' HB2' ' H ' ' B' ' 644' ' ' LYS . 83.9 Cg_endo -94.48 -144.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.294 2.663 . . . . 0.0 111.26 178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' B' ' 643' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.592 179.159 . . . . . . . . 2 2 . 1 stop_ save_