data_2ma1_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 2ma1 _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 full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.292 0.567 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -90.73 7.22 40.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.562 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.509 ' N ' ' CD ' ' A' ' 539' ' ' PRO . . . -51.12 -48.24 85.66 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 538' ' ' ALA . 37.1 Cg_exo -54.28 -27.25 46.98 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.313 2.008 . . . . 0.0 112.161 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.68 -36.58 84.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.338 -0.851 . . . . 0.0 109.522 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -57.06 -32.64 66.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.464 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -52.8 -38.0 60.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.182 -0.949 . . . . 0.0 109.167 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -68.74 -46.71 68.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.197 -0.939 . . . . 0.0 108.521 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.19 -36.25 83.0 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -56.88 -35.71 69.25 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.73 88.35 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' TRP . . . . . 0.541 ' CZ3' ' OE1' ' A' ' 550' ' ' GLN . 63.4 t-105 -65.69 -36.62 84.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.382 -0.824 . . . . 0.0 108.789 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.66 -41.84 74.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.592 -0.693 . . . . 0.0 109.92 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.42 -43.16 98.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.116 -0.99 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.541 ' OE1' ' CZ3' ' A' ' 547' ' ' TRP . 94.6 mt-30 -67.01 -40.11 87.21 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.212 -0.93 . . . . 0.0 108.54 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.77 -38.81 89.4 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.368 0.604 . . . . 0.0 109.619 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.69 85.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.9 -42.99 90.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.456 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.91 -42.05 86.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.515 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LEU . . . . . 0.555 ' O ' ' CB ' ' A' ' 556' ' ' SER . 68.8 mt -72.45 -31.28 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.385 -0.822 . . . . 0.0 109.472 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 555' ' ' LEU . 0.6 OUTLIER 80.53 14.35 0.77 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.745 . . . . 0.0 109.862 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.64 176.28 2.31 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.352 -0.843 . . . . 0.0 108.908 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -64.45 150.31 88.47 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.243 1.962 . . . . 0.0 112.041 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -64.65 -43.98 11.9 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.447 2.098 . . . . 0.0 112.585 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' TYR . . . . . 0.51 ' O ' ' O ' ' A' ' 563' ' ' PHE . 33.9 p90 -64.49 -27.52 69.03 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.172 -0.955 . . . . 0.0 109.295 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' THR . . . . . . . . . . . . . 51.3 m -67.56 -31.96 72.4 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.85 -39.96 68.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.485 -0.759 . . . . 0.0 109.699 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.51 ' O ' ' O ' ' A' ' 560' ' ' TYR . 69.4 m-85 -121.66 155.31 35.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.576 -0.703 . . . . 0.0 109.759 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' HIS . . . . . 0.521 ' ND1' ' H ' ' A' ' 566' ' ' ALA . 52.2 t-80 -80.14 152.23 29.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.085 -1.009 . . . . 0.0 109.105 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -56.78 -45.38 82.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.935 . . . . 0.0 110.176 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' ALA . . . . . 0.521 ' H ' ' ND1' ' A' ' 564' ' ' HIS . . . -70.85 -42.71 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.988 -1.07 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 63.2 m -61.86 -40.08 94.09 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.467 -0.771 . . . . 0.0 109.955 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.81 -40.53 80.17 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.316 -0.865 . . . . 0.0 109.886 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -64.09 -38.85 92.55 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.234 -0.916 . . . . 0.0 109.229 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 95.6 m -61.08 -37.68 83.59 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.687 . . . . 0.0 109.937 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 574' ' ' LEU . 79.4 mt -61.33 -41.86 91.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.302 -0.874 . . . . 0.0 109.982 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.77 96.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.129 -0.982 . . . . 0.0 109.783 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.66 -38.22 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.364 -0.835 . . . . 0.0 109.898 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 571' ' ' ILE . 65.8 mt -97.93 140.6 32.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.347 -0.846 . . . . 0.0 109.761 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 576' ' ' PRO . 0.8 OUTLIER -142.58 42.25 0.41 Allowed Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 575' ' ' ARG . 11.0 Cg_endo -57.61 -26.16 71.03 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.661 2.241 . . . . 0.0 111.314 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLY . . . . . . . . . . . . . . . 100.41 -31.19 8.81 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.1 t -108.76 136.5 48.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -1.164 . . . . 0.0 109.971 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -64.88 -40.67 95.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.367 -0.833 . . . . 0.0 109.889 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.39 83.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.222 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' THR . . . . . . . . . . . . . 78.1 m -70.75 -29.62 65.91 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.755 . . . . 0.0 109.014 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 46.8 tp -49.86 -32.61 14.81 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . 72.23 19.05 78.45 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.592 -2.203 . . . . 0.0 107.592 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' THR . . . . . . . . . . . . . 2.4 m -137.39 38.14 2.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.812 -0.816 . . . . 0.0 110.075 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.03 126.05 51.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.078 -1.014 . . . . 0.0 109.292 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' SER . . . . . 0.537 ' C ' ' H ' ' A' ' 588' ' ' VAL . 23.2 t -159.58 145.32 15.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.226 -0.921 . . . . 0.0 109.555 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 69.42 -40.54 0.37 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 586' ' ' SER . 21.8 m -72.77 -22.53 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -1.129 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -62.67 135.79 44.35 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 155.12 -171.66 33.36 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.7 tpt85 -56.44 -38.24 71.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.167 -1.196 . . . . 0.0 108.846 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' LYS . . . . . 0.457 ' HZ3' ' CD2' ' A' ' 555' ' ' LEU . 27.7 mttt -59.34 -33.08 70.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.309 -0.869 . . . . 0.0 109.036 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 596' ' ' TYR . 31.4 tp -56.73 -38.6 72.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.364 -0.835 . . . . 0.0 109.115 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.12 95.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.28 -0.887 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.32 68.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -0.791 . . . . 0.0 109.053 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' TYR . . . . . 0.606 ' CG ' ' O ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -113.71 122.2 46.43 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.598 -0.689 . . . . 0.0 109.182 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 148.92 -73.54 0.29 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -56.91 -40.38 76.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -1.13 . . . . 0.0 109.281 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -34.6 78.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 0.0 109.49 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.42 -38.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.288 -0.882 . . . . 0.0 108.972 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.42 -44.56 80.48 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.86 -39.57 92.35 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.96 -40.95 88.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.521 -0.737 . . . . 0.0 109.668 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.467 ' O ' ' OG ' ' A' ' 607' ' ' SER . 76.9 t -62.85 -42.83 97.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . 0.494 ' O ' ' OG ' ' A' ' 608' ' ' SER . 52.9 mtm180 -61.45 -37.78 84.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 0.0 108.843 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.29 -37.83 81.73 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.369 -0.832 . . . . 0.0 109.162 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' A' ' 604' ' ' VAL . 86.4 p -63.35 -29.17 70.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.556 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' A' ' 605' ' ' ARG . 80.4 p -63.41 -24.41 67.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . 94.17 6.53 61.52 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.445 ' O ' ' OG ' ' A' ' 608' ' ' SER . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.292 0.567 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -90.73 7.22 40.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.562 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' A' ' 539' ' ' PRO . . . -51.12 -48.24 85.66 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 538' ' ' ALA . 37.1 Cg_exo -54.28 -27.25 46.98 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.313 2.008 . . . . 0.0 112.161 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.68 -36.58 84.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.338 -0.851 . . . . 0.0 109.522 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 568' ' ' LEU . 68.2 t80 -57.06 -32.64 66.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.464 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -52.8 -38.0 60.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.182 -0.949 . . . . 0.0 109.167 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -68.74 -46.71 68.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.197 -0.939 . . . . 0.0 108.521 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.19 -36.25 83.0 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -56.88 -35.71 69.25 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.73 88.35 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' TRP . . . . . 0.541 ' CZ3' ' OE1' ' A' ' 550' ' ' GLN . 63.4 t-105 -65.69 -36.62 84.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.382 -0.824 . . . . 0.0 108.789 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.66 -41.84 74.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.592 -0.693 . . . . 0.0 109.92 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.42 -43.16 98.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.116 -0.99 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.541 ' OE1' ' CZ3' ' A' ' 547' ' ' TRP . 94.6 mt-30 -67.01 -40.11 87.21 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.212 -0.93 . . . . 0.0 108.54 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 562' ' ' ILE . 84.3 tttt -61.77 -38.81 89.4 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.368 0.604 . . . . 0.0 109.619 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.69 85.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.9 -42.99 90.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.456 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.91 -42.05 86.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.515 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LEU . . . . . 0.555 ' O ' ' CB ' ' A' ' 556' ' ' SER . 68.8 mt -72.45 -31.28 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.385 -0.822 . . . . 0.0 109.472 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.601 ' C ' HD23 ' A' ' 557' ' ' LEU . 0.6 OUTLIER 80.53 14.35 0.77 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.745 . . . . 0.0 109.862 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.601 HD23 ' C ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -123.64 176.28 2.31 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.352 -0.843 . . . . 0.0 108.908 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -64.45 150.31 88.47 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.243 1.962 . . . . 0.0 112.041 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -64.65 -43.98 11.9 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.447 2.098 . . . . 0.0 112.585 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' TYR . . . . . 0.51 ' O ' ' O ' ' A' ' 563' ' ' PHE . 33.9 p90 -64.49 -27.52 69.03 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.172 -0.955 . . . . 0.0 109.295 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' THR . . . . . . . . . . . . . 51.3 m -67.56 -31.96 72.4 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.541 HG21 ' HD3' ' A' ' 551' ' ' LYS . 71.7 mt -56.85 -39.96 68.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.485 -0.759 . . . . 0.0 109.699 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.51 ' O ' ' O ' ' A' ' 560' ' ' TYR . 69.4 m-85 -121.66 155.31 35.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.576 -0.703 . . . . 0.0 109.759 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -80.14 152.23 29.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.085 -1.009 . . . . 0.0 109.105 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -56.78 -45.38 82.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.935 . . . . 0.0 110.176 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' ALA . . . . . . . . . . . . . . . -70.85 -42.71 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.988 -1.07 . . . . 0.0 109.625 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 63.2 m -61.86 -40.08 94.09 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.467 -0.771 . . . . 0.0 109.955 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 541' ' ' PHE . 7.8 tt -57.81 -40.53 80.17 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.316 -0.865 . . . . 0.0 109.886 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -64.09 -38.85 92.55 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.234 -0.916 . . . . 0.0 109.229 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 95.6 m -61.08 -37.68 83.59 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.687 . . . . 0.0 109.937 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 574' ' ' LEU . 79.4 mt -61.33 -41.86 91.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.302 -0.874 . . . . 0.0 109.982 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 538' ' ' ALA . . . -64.44 -41.77 96.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.129 -0.982 . . . . 0.0 109.783 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.66 -38.22 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.364 -0.835 . . . . 0.0 109.898 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 571' ' ' ILE . 65.8 mt -97.93 140.6 32.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.347 -0.846 . . . . 0.0 109.761 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 576' ' ' PRO . 0.8 OUTLIER -142.58 42.25 0.41 Allowed Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 576' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 575' ' ' ARG . 11.0 Cg_endo -57.61 -26.16 71.03 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.661 2.241 . . . . 0.0 111.314 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLY . . . . . . . . . . . . . . . 100.41 -31.19 8.81 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.1 t -108.76 136.5 48.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -1.164 . . . . 0.0 109.971 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' HIS . . . . . 0.602 ' NE2' HG11 ' A' ' 600' ' ' VAL . 65.6 m170 -64.88 -40.67 95.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.367 -0.833 . . . . 0.0 109.889 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.39 83.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.222 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' THR . . . . . . . . . . . . . 78.1 m -70.75 -29.62 65.91 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.755 . . . . 0.0 109.014 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 46.8 tp -49.86 -32.61 14.81 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . 72.23 19.05 78.45 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.592 -2.203 . . . . 0.0 107.592 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' THR . . . . . . . . . . . . . 2.4 m -137.39 38.14 2.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.812 -0.816 . . . . 0.0 110.075 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' VAL . . . . . 0.418 HG13 ' CG2' ' A' ' 588' ' ' VAL . 22.3 t -98.03 126.05 51.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.078 -1.014 . . . . 0.0 109.292 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 588' ' ' VAL . 23.2 t -159.58 145.32 15.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.226 -0.921 . . . . 0.0 109.555 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 69.42 -40.54 0.37 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.497 ' H ' ' C ' ' A' ' 586' ' ' SER . 21.8 m -72.77 -22.53 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -1.129 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -62.67 135.79 44.35 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 155.12 -171.66 33.36 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.7 tpt85 -56.44 -38.24 71.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.167 -1.196 . . . . 0.0 108.846 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -59.34 -33.08 70.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.309 -0.869 . . . . 0.0 109.036 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 596' ' ' TYR . 31.4 tp -56.73 -38.6 72.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.364 -0.835 . . . . 0.0 109.115 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.12 95.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.28 -0.887 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.32 68.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -0.791 . . . . 0.0 109.053 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' TYR . . . . . 0.606 ' CG ' ' O ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -113.71 122.2 46.43 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.598 -0.689 . . . . 0.0 109.182 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 148.92 -73.54 0.29 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -56.91 -40.38 76.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -1.13 . . . . 0.0 109.281 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -34.6 78.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 0.0 109.49 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 0.602 HG11 ' NE2' ' A' ' 579' ' ' HIS . 71.0 t -61.42 -38.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.288 -0.882 . . . . 0.0 108.972 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 601' ' ' LEU . 13.5 mt -56.42 -44.56 80.48 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLN . . . . . 0.41 ' HG3' HH21 ' A' ' 605' ' ' ARG . 63.4 tt0 -61.86 -39.57 92.35 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.96 -40.95 88.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.521 -0.737 . . . . 0.0 109.668 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.85 -42.83 97.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ARG . . . . . 0.41 HH21 ' HG3' ' A' ' 602' ' ' GLN . 52.9 mtm180 -61.45 -37.78 84.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 0.0 108.843 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.29 -37.83 81.73 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.369 -0.832 . . . . 0.0 109.162 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -29.17 70.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.556 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 610' ' ' GLY . 80.4 p -63.41 -24.41 67.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . 94.17 6.53 61.52 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.445 ' O ' ' OG ' ' A' ' 608' ' ' SER . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.292 0.567 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -90.73 7.22 40.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.562 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' A' ' 539' ' ' PRO . . . -51.12 -48.24 85.66 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.899 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 538' ' ' ALA . 37.1 Cg_exo -54.28 -27.25 46.98 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.313 2.008 . . . . 0.0 112.161 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . . . . . . . . . 35.9 tp -63.68 -36.58 84.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.338 -0.851 . . . . 0.0 109.522 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 568' ' ' LEU . 68.2 t80 -57.06 -32.64 66.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.464 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -52.8 -38.0 60.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.182 -0.949 . . . . 0.0 109.167 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -68.74 -46.71 68.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.197 -0.939 . . . . 0.0 108.521 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.19 -36.25 83.0 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -56.88 -35.71 69.25 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.73 88.35 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' TRP . . . . . 0.541 ' CZ3' ' OE1' ' A' ' 550' ' ' GLN . 63.4 t-105 -65.69 -36.62 84.14 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.382 -0.824 . . . . 0.0 108.789 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.66 -41.84 74.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.592 -0.693 . . . . 0.0 109.92 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.42 -43.16 98.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.116 -0.99 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.541 ' OE1' ' CZ3' ' A' ' 547' ' ' TRP . 94.6 mt-30 -67.01 -40.11 87.21 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.212 -0.93 . . . . 0.0 108.54 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 562' ' ' ILE . 84.3 tttt -61.77 -38.81 89.4 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.368 0.604 . . . . 0.0 109.619 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.69 85.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -58.9 -42.99 90.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 109.456 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.91 -42.05 86.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.515 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LEU . . . . . 0.555 ' O ' ' CB ' ' A' ' 556' ' ' SER . 68.8 mt -72.45 -31.28 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.385 -0.822 . . . . 0.0 109.472 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.601 ' C ' HD23 ' A' ' 557' ' ' LEU . 0.6 OUTLIER 80.53 14.35 0.77 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.745 . . . . 0.0 109.862 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.601 HD23 ' C ' ' A' ' 556' ' ' SER . 0.3 OUTLIER -123.64 176.28 2.31 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.352 -0.843 . . . . 0.0 108.908 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -64.45 150.31 88.47 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.243 1.962 . . . . 0.0 112.041 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -64.65 -43.98 11.9 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.447 2.098 . . . . 0.0 112.585 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' TYR . . . . . 0.51 ' O ' ' O ' ' A' ' 563' ' ' PHE . 33.9 p90 -64.49 -27.52 69.03 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.172 -0.955 . . . . 0.0 109.295 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' THR . . . . . . . . . . . . . 51.3 m -67.56 -31.96 72.4 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.541 HG21 ' HD3' ' A' ' 551' ' ' LYS . 71.7 mt -56.85 -39.96 68.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.485 -0.759 . . . . 0.0 109.699 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.51 ' O ' ' O ' ' A' ' 560' ' ' TYR . 69.4 m-85 -121.66 155.31 35.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.576 -0.703 . . . . 0.0 109.759 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -80.14 152.23 29.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.085 -1.009 . . . . 0.0 109.105 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -56.78 -45.38 82.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.935 . . . . 0.0 110.176 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' ALA . . . . . . . . . . . . . . . -70.85 -42.71 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.988 -1.07 . . . . 0.0 109.625 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 63.2 m -61.86 -40.08 94.09 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.467 -0.771 . . . . 0.0 109.955 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 541' ' ' PHE . 7.8 tt -57.81 -40.53 80.17 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.316 -0.865 . . . . 0.0 109.886 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -64.09 -38.85 92.55 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.234 -0.916 . . . . 0.0 109.229 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 95.6 m -61.08 -37.68 83.59 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.687 . . . . 0.0 109.937 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 574' ' ' LEU . 79.4 mt -61.33 -41.86 91.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.302 -0.874 . . . . 0.0 109.982 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' ' 538' ' ' ALA . . . -64.44 -41.77 96.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.129 -0.982 . . . . 0.0 109.783 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.66 -38.22 88.72 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.364 -0.835 . . . . 0.0 109.898 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 571' ' ' ILE . 65.8 mt -97.93 140.6 32.04 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.347 -0.846 . . . . 0.0 109.761 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' ARG . . . . . 0.642 ' N ' ' CD ' ' A' ' 576' ' ' PRO . 0.8 OUTLIER -142.58 42.25 0.41 Allowed Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 575' ' ' ARG . 11.0 Cg_endo -57.61 -26.16 71.03 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.661 2.241 . . . . 0.0 111.314 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLY . . . . . . . . . . . . . . . 100.41 -31.19 8.81 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.1 t -108.76 136.5 48.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -1.164 . . . . 0.0 109.971 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' HIS . . . . . 0.602 ' NE2' HG11 ' A' ' 600' ' ' VAL . 65.6 m170 -64.88 -40.67 95.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.367 -0.833 . . . . 0.0 109.889 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.39 83.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.222 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' THR . . . . . . . . . . . . . 78.1 m -70.75 -29.62 65.91 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.493 -0.755 . . . . 0.0 109.014 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . . . . . . . . . 46.8 tp -49.86 -32.61 14.81 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . 72.23 19.05 78.45 Favored Glycine 0 N--CA 1.485 1.94 0 N-CA-C 107.592 -2.203 . . . . 0.0 107.592 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' THR . . . . . . . . . . . . . 2.4 m -137.39 38.14 2.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.812 -0.816 . . . . 0.0 110.075 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' VAL . . . . . 0.418 HG13 ' CG2' ' A' ' 588' ' ' VAL . 22.3 t -98.03 126.05 51.13 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.078 -1.014 . . . . 0.0 109.292 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 588' ' ' VAL . 23.2 t -159.58 145.32 15.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.226 -0.921 . . . . 0.0 109.555 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 69.42 -40.54 0.37 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.497 ' H ' ' C ' ' A' ' 586' ' ' SER . 21.8 m -72.77 -22.53 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -1.129 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -62.67 135.79 44.35 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 155.12 -171.66 33.36 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ARG . . . . . . . . . . . . . 31.7 tpt85 -56.44 -38.24 71.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.167 -1.196 . . . . 0.0 108.846 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -59.34 -33.08 70.71 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.309 -0.869 . . . . 0.0 109.036 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' A' ' 596' ' ' TYR . 31.4 tp -56.73 -38.6 72.59 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.364 -0.835 . . . . 0.0 109.115 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ALA . . . . . . . . . . . . . . . -63.93 -40.12 95.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.28 -0.887 . . . . 0.0 108.843 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.32 68.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.435 -0.791 . . . . 0.0 109.053 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' TYR . . . . . 0.606 ' CG ' ' O ' ' A' ' 596' ' ' TYR . 0.1 OUTLIER -113.71 122.2 46.43 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.598 -0.689 . . . . 0.0 109.182 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 148.92 -73.54 0.29 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -56.91 -40.38 76.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -1.13 . . . . 0.0 109.281 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.29 -34.6 78.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.382 -0.824 . . . . 0.0 109.49 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 0.602 HG11 ' NE2' ' A' ' 579' ' ' HIS . 71.0 t -61.42 -38.56 80.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.288 -0.882 . . . . 0.0 108.972 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 601' ' ' LEU . 13.5 mt -56.42 -44.56 80.48 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLN . . . . . 0.41 ' HG3' HH21 ' A' ' 605' ' ' ARG . 63.4 tt0 -61.86 -39.57 92.35 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.96 -40.95 88.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.521 -0.737 . . . . 0.0 109.668 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.85 -42.83 97.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.281 -0.887 . . . . 0.0 109.745 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.41 HH21 ' HG3' ' A' ' 602' ' ' GLN . 52.9 mtm180 -61.45 -37.78 84.8 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 0.0 108.843 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.29 -37.83 81.73 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.369 -0.832 . . . . 0.0 109.162 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -29.17 70.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.556 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 610' ' ' GLY . 80.4 p -63.41 -24.41 67.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . 94.17 6.53 61.52 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.445 ' O ' ' OG ' ' A' ' 608' ' ' SER . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.518 179.986 . . . . . . . . 1 1 . 1 stop_ save_