data_1ac0_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 1ac0 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 509' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 604' ' ' CYS . 63.2 m . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 4.3399999999999999 109.374 . -56.989 -21.145 -62.135 104.409 2.02 104.176 -116.641 38.949 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' THR . . . . . 0.459 ' C ' ' OG1' ' A' ' 511' ' ' THR . 0.6 OUTLIER -141.9 -62.74 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 5.7999999999999998 109.684 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' THR . . . . . 0.551 ' CB ' ' HD3' ' A' ' 512' ' ' PRO . 0.0 OUTLIER 176.06 -55.14 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.998 . . . . 5.1100000000000003 110.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 511' ' ' THR . 34.4 Cg_endo -76.27 155.97 37.31 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.519 2.146 . . . . 4.3700000000000001 111.008 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' THR . . . . . 0.404 HG21 ' C ' ' A' ' 512' ' ' PRO . 30.2 p -130.66 44.0 3.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.86 . . . . 2.2200000000000002 109.618 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.645 ' HA ' ' HA ' ' A' ' 570' ' ' PRO . . . -82.19 136.95 35.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 1.3999999999999999 109.333 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.77 ' CG2' HG12 ' A' ' 600' ' ' VAL . 47.7 t -101.88 93.47 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.98 . . . . 1.6899999999999999 110.128 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ALA . . . . . 0.62 ' O ' ' HB ' ' A' ' 608' ' ' THR . . . -77.37 110.33 12.02 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.488 -1.301 . . . . 1.46 107.488 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' VAL . . . . . 0.719 ' CG1' ' CG2' ' A' ' 611' ' ' VAL . 0.1 OUTLIER -115.18 137.2 49.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 117.805 -1.558 . . . . 1.1200000000000001 107.393 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.488 HG21 HG22 ' A' ' 566' ' ' THR . 0.0 OUTLIER -97.39 122.32 40.3 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.086 -1.009 . . . . 2.1099999999999999 108.45 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' PHE . . . . . 0.881 ' HB2' ' CG1' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -112.32 148.92 33.2 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.334 -0.854 . . . . 2.1899999999999999 108.81 179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.28 106.1 5.91 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.094 -1.076 . . . . 1.4299999999999999 108.094 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.82 ' HA ' ' O ' ' A' ' 613' ' ' ASP . 6.9 tt -114.81 123.75 50.0 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.17 -0.956 . . . . 1.98 110.218 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.59 ' N ' HD22 ' A' ' 521' ' ' LEU . 29.4 m -86.71 109.14 19.01 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.35 -0.94 . . . . 1.46 111.014 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.777 ' HB2' ' NE1' ' A' ' 563' ' ' TRP . . . -141.04 -133.03 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.782 -0.821 . . . . 1.7 108.782 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' THR . . . . . 0.874 ' N ' ' HE1' ' A' ' 563' ' ' TRP . 0.1 OUTLIER 177.76 102.88 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.266 -0.897 . . . . 2.8700000000000001 110.548 -178.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' THR . . . . . 0.907 ' HB ' ' CH2' ' A' ' 563' ' ' TRP . 1.3 t -83.8 173.87 10.91 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.061 -1.024 . . . . 4.2300000000000004 109.475 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 526' ' ' THR . 0.0 OUTLIER -108.76 65.48 0.62 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.764 1.269 . . . . 2.4500000000000002 108.613 178.246 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' TYR . . . . . 0.659 ' HA ' ' HB2' ' A' ' 559' ' ' SER . 1.8 t80 45.7 50.38 10.8 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.725 -1.125 . . . . 5.3099999999999996 110.679 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . 0.529 ' N ' ' OG ' ' A' ' 559' ' ' SER . . . 159.79 45.81 0.02 OUTLIER Glycine 0 N--CA 1.497 2.747 0 C-N-CA 118.544 -1.789 . . . . 2.7200000000000002 112.934 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.593 ' CG ' ' HH2' ' A' ' 563' ' ' TRP . 2.8 pt-20 -158.89 -178.98 7.64 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.109 -1.818 . . . . 2.8999999999999999 109.916 178.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ASN . . . . . 0.62 ' O ' ' CB ' ' A' ' 582' ' ' ILE . 0.1 OUTLIER -142.02 137.09 30.87 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.691 -1.256 . . . . 1.1499999999999999 111.048 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ILE . . . . . 1.006 HG12 ' CZ ' ' A' ' 579' ' ' PHE . 3.0 tt -92.28 112.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 107.274 -1.38 . . . . 1.3200000000000001 107.274 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' TYR . . . . . 0.879 ' CB ' HG12 ' A' ' 580' ' ' ILE . 0.3 OUTLIER -84.64 155.02 22.18 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 118.729 2.863 . . . . 2.6299999999999999 118.729 -173.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.706 ' O ' HG13 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -129.31 72.54 1.47 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 113.327 -1.761 . . . . 2.2400000000000002 108.432 176.82 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 1.014 HG23 ' C ' ' A' ' 542' ' ' ASP . 2.6 p -78.95 114.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 121.624 0.726 . . . . 1.1799999999999999 109.658 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . 1.369 ' C ' ' HB2' ' A' ' 542' ' ' ASP . . . -105.56 158.27 15.9 Favored Glycine 0 N--CA 1.51 3.576 0 N-CA-C 108.767 -1.733 . . . . 1.1699999999999999 108.767 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' SER . . . . . 0.977 ' N ' ' HB2' ' A' ' 542' ' ' ASP . 36.5 t -77.27 54.0 1.06 Allowed 'General case' 0 N--CA 1.511 2.614 0 CA-C-N 119.372 1.586 . . . . 1.1599999999999999 112.709 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . 0.77 ' CG2' ' HB2' ' A' ' 540' ' ' LEU . 2.3 tp -139.37 162.3 27.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.768 -1.197 . . . . 2.75 107.768 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.608 ' N ' HG13 ' A' ' 537' ' ' ILE . 9.5 m -59.39 -44.33 92.81 Favored 'General case' 0 C--N 1.288 -2.086 0 O-C-N 120.602 -1.311 . . . . 2.1699999999999999 110.811 -176.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' GLN . . . . . 0.539 ' HB3' HD11 ' A' ' 569' ' ' LEU . 0.0 OUTLIER -71.33 -16.11 62.43 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.513 -2.032 . . . . 2.2400000000000002 105.513 178.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LEU . . . . . 0.77 ' HB2' ' CG2' ' A' ' 537' ' ' ILE . 0.3 OUTLIER -131.84 59.11 1.71 Allowed 'General case' 0 C--O 1.19 -2.077 0 N-CA-C 107.62 -1.252 . . . . 2.0899999999999999 107.62 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . 0.635 ' C ' ' H ' ' A' ' 543' ' ' TRP . . . -29.98 -38.74 0.02 OUTLIER Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.989 -1.07 . . . . 1.6599999999999999 110.903 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ASP . . . . . 1.369 ' HB2' ' C ' ' A' ' 535' ' ' GLY . 10.9 t0 65.75 -19.16 0.09 Allowed 'General case' 0 N--CA 1.516 2.855 0 O-C-N 122.051 -0.676 . . . . 3.1200000000000001 110.689 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . 1.014 ' CE3' ' O ' ' A' ' 542' ' ' ASP . 11.7 m95 -131.11 29.0 4.72 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-O 123.666 1.698 . . . . 1.3200000000000001 107.509 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 546' ' ' SER . 61.5 tt0 -170.01 82.86 0.11 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 103.833 -2.654 . . . . 1.8500000000000001 103.833 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' THR . . . . . 0.808 HG21 ' CZ2' ' A' ' 590' ' ' TRP . 1.3 p -46.65 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.475 -0.89 . . . . 1.1599999999999999 109.618 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 544' ' ' GLU . 1.3 t -54.08 -38.23 65.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.006 -1.059 . . . . 1.8 109.662 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 540' ' ' LEU . 0.9 OUTLIER -118.86 38.11 3.89 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.376 -0.828 . . . . 1.45 109.277 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.538 ' C ' HG13 ' A' ' 549' ' ' ILE . . . -90.92 -122.05 2.55 Favored Glycine 0 N--CA 1.482 1.746 0 N-CA-C 108.524 -1.83 . . . . 0.52000000000000002 108.524 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.706 HG13 ' O ' ' A' ' 533' ' ' LEU . 0.5 OUTLIER -152.41 98.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.773 -0.839 . . . . 1.79 108.981 178.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ALA . . . . . 0.549 ' CB ' ' ND2' ' A' ' 530' ' ' ASN . . . -79.2 131.4 36.18 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.004 0.907 . . . . 1.22 111.05 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.71 ' HB2' ' CG2' ' A' ' 531' ' ' ILE . 3.7 mp -105.31 140.08 38.99 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.576 -1.638 . . . . 1.7 106.576 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.76 ' OG ' ' HB3' ' A' ' 560' ' ' ASP . 0.9 OUTLIER -145.62 -177.76 5.74 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 117.746 -1.582 . . . . 1.52 112.493 -178.201 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.888 ' CA ' ' HB2' ' A' ' 556' ' ' TYR . . . -86.71 58.51 5.11 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.287 -1.005 . . . . 1.99 108.287 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' ASP . . . . . 0.76 ' OD1' ' CE2' ' A' ' 564' ' ' TYR . 0.7 OUTLIER -59.73 -60.96 3.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.955 -1.091 . . . . 3.6299999999999999 108.982 -179.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 554' ' ' ASP . 14.6 mttt -68.45 -41.36 80.36 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.431 -2.433 . . . . 3.0299999999999998 104.431 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' TYR . . . . . 0.95 ' CG ' ' H2 ' ' A' ' 617' B GLC . 6.5 m-30 -50.1 158.81 0.5 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.993 -1.114 . . . . 4.0300000000000002 107.993 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 557' ' ' THR . 1.0 OUTLIER -108.27 -17.0 14.12 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.877 -1.129 . . . . 4.2300000000000004 111.759 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' SER . . . . . 0.569 ' HA ' ' CE1' ' A' ' 527' ' ' TYR . 39.4 t -75.92 -120.07 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 108.424 -0.954 . . . . 4.75 108.424 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' SER . . . . . 0.659 ' HB2' ' HA ' ' A' ' 527' ' ' TYR . 0.5 OUTLIER -111.93 -54.68 2.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.022 -1.049 . . . . 3.8300000000000001 109.119 179.253 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . 0.778 ' O ' ' CE2' ' A' ' 563' ' ' TRP . 0.2 OUTLIER 176.2 54.6 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.749 0 O-C-N 121.331 -0.856 . . . . 2.25 111.029 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' PRO . . . . . 1.079 ' HG2' ' O2 ' ' A' ' 617' B GLC . 19.6 Cg_endo -69.03 -37.53 10.78 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.366 1.377 . . . . 1.53 113.894 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.911 ' HG ' ' CZ ' ' A' ' 556' ' ' TYR . 0.0 OUTLIER -102.81 7.71 39.45 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 118.823 -2.423 . . . . 2.7599999999999998 107.49 176.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' TRP . . . . . 0.982 ' CE3' ' HB ' ' A' ' 531' ' ' ILE . 0.0 OUTLIER 19.21 93.58 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.996 -1.002 . . . . 1.02 112.585 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.9 ' CD1' ' C ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -91.31 -161.7 0.84 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 105.867 -1.901 . . . . 2.5699999999999998 105.867 176.39 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.881 ' CG1' ' HB2' ' A' ' 519' ' ' PHE . 1.4 p 174.15 154.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.222 -1.549 . . . . 1.28 112.024 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' THR . . . . . 0.501 ' N ' HG21 ' A' ' 565' ' ' VAL . 99.0 m -157.56 86.82 0.94 Allowed 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.089 -1.078 . . . . 1.3 108.089 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' VAL . . . . . 0.644 ' CG2' ' CG2' ' A' ' 549' ' ' ILE . 1.9 t -116.46 -166.73 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 1.29 109.421 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' THR . . . . . 0.493 HG21 ' CA ' ' A' ' 516' ' ' ALA . 24.3 p -133.96 161.67 34.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.034 -1.041 . . . . 1.4199999999999999 110.834 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . 0.656 ' CD2' ' CD2' ' A' ' 575' ' ' PHE . 7.1 tp -142.28 89.43 8.56 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 107.569 -1.271 . . . . 2.1899999999999999 107.569 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' PRO . . . . . 0.645 ' HA ' ' HA ' ' A' ' 514' ' ' ALA . 34.8 Cg_endo -76.05 99.09 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 123.125 2.55 . . . . 2.1499999999999999 111.824 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . 0.699 ' CB ' ' CZ ' ' A' ' 575' ' ' PHE . . . -162.46 -66.86 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 2.8100000000000001 110.009 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . 91.25 53.62 2.14 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.059 -1.616 . . . . 1.8500000000000001 109.059 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' VAL . 8.6 tt0 -162.23 -143.41 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 2.7200000000000002 109.536 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 599' ' ' THR . 19.4 p -107.08 122.8 47.18 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 122.223 1.011 . . . . 1.8100000000000001 109.887 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' PHE . . . . . 0.735 ' HB3' ' CG2' ' A' ' 537' ' ' ILE . 4.1 m-85 -127.7 139.23 52.83 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.2 -1.778 . . . . 2.8700000000000001 106.2 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.84 ' HB2' ' CB ' ' A' ' 536' ' ' SER . 29.0 mm-40 -75.89 170.2 16.68 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.13 -1.828 . . . . 1.8999999999999999 107.656 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 598' ' ' TYR . 9.4 m-85 -143.51 61.89 1.38 Allowed 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 118.675 -1.21 . . . . 2.25 109.662 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' LYS . . . . . 0.6 ' HB2' ' CH2' ' A' ' 543' ' ' TRP . 0.0 OUTLIER -79.92 148.91 31.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.242 -1.022 . . . . 2.3300000000000001 108.242 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 1.006 ' CZ ' HG12 ' A' ' 531' ' ' ILE . 7.1 t80 -113.01 144.53 42.43 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.361 -1.336 . . . . 2.3500000000000001 110.428 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ILE . . . . . 0.911 ' CD1' ' HB ' ' A' ' 534' ' ' VAL . 0.1 OUTLIER -139.27 116.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-N 114.293 -1.321 . . . . 1.1799999999999999 108.075 -179.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ARG . . . . . 0.565 ' HB2' ' NE1' ' A' ' 615' ' ' TRP . 4.1 ttt180 -78.8 111.94 15.44 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.386 -1.446 . . . . 2.5899999999999999 109.493 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ILE . . . . . 0.747 ' HA ' ' HA ' ' A' ' 588' ' ' VAL . 0.4 OUTLIER -77.57 142.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 C-N-CA 118.557 -1.257 . . . . 1.55 107.995 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' GLU . . . . . 0.575 ' C ' ' HB2' ' A' ' 529' ' ' GLU . 9.3 tt0 -121.18 172.9 7.65 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.001 -1.062 . . . . 4.0099999999999998 111.676 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 528' ' ' GLY . 3.2 t -92.5 -25.14 18.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.896 -0.502 . . . . 3.71 111.829 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -76.65 0.53 Allowed 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.538 -1.352 . . . . 3.1099999999999999 110.892 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 586' ' ' ASP . 32.0 t0 -65.47 -90.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 4.6200000000000001 109.145 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.9 p -170.18 -129.6 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.539 -0.912 . . . . 2.0800000000000001 108.539 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' VAL . . . . . 0.747 ' HA ' ' HA ' ' A' ' 582' ' ' ILE . 0.3 OUTLIER -86.36 -173.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 C-N-CA 118.672 -1.211 . . . . 1.45 109.463 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 589' ' ' GLU . 0.7 OUTLIER -154.06 74.12 0.96 Allowed 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.085 -2.191 . . . . 2.54 105.085 177.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' TRP . . . . . 0.808 ' CZ2' HG21 ' A' ' 545' ' ' THR . 13.6 m95 -51.07 86.26 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.519 0.563 . . . . 0.65000000000000002 112.519 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.638 ' HB2' ' CZ2' ' A' ' 615' ' ' TRP . 0.9 OUTLIER -62.94 87.86 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 104.817 -2.29 . . . . 2.4399999999999999 104.817 176.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 590' ' ' TRP . 24.1 t -93.66 20.38 7.53 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.581 0.705 . . . . 2.3100000000000001 109.38 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.709 ' CB ' ' HD3' ' A' ' 594' ' ' PRO . 1.2 m-20 -90.06 -66.72 0.14 Allowed Pre-proline 0 N--CA 1.486 1.361 0 N-CA-C 108.299 -1.0 . . . . 2.5299999999999998 108.299 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.709 ' HD3' ' CB ' ' A' ' 593' ' ' ASP . 36.8 Cg_endo -78.56 77.28 4.09 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 121.829 1.686 . . . . 1.5700000000000001 109.641 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.572 ' CB ' ' HE3' ' A' ' 578' ' ' LYS . 40.7 p-10 -100.41 168.67 9.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 2.2000000000000002 110.257 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.63 -166.68 2.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.378 -0.826 . . . . 3.3900000000000001 109.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -160.03 88.33 0.82 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.847 . . . . 1.9099999999999999 108.934 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' TYR . . . . . 0.684 ' CB ' ' CE1' ' A' ' 577' ' ' TYR . 2.2 t80 -67.89 100.27 0.93 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.311 -0.868 . . . . 2.2000000000000002 110.244 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 574' ' ' SER . 0.0 OUTLIER -85.75 69.21 10.58 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.597 -1.26 . . . . 2.6400000000000001 107.597 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' VAL . . . . . 0.77 HG12 ' CG2' ' A' ' 515' ' ' VAL . 0.6 OUTLIER -59.17 128.12 84.9 Favored Pre-proline 0 N--CA 1.485 1.316 0 C-N-CA 119.315 -0.954 . . . . 1.3500000000000001 108.931 -178.535 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.404 ' HD2' HG11 ' A' ' 600' ' ' VAL . 35.6 Cg_endo -78.23 163.78 27.4 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.634 2.223 . . . . 0.95999999999999996 110.332 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.83 -14.34 34.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 3.9399999999999999 109.437 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -59.63 -172.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 3.5299999999999998 109.45 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 509' ' ' CYS . 1.6 p -129.74 -177.54 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 2.6499999999999999 109.557 -179.896 38.949 -116.641 -62.135 104.176 2.02 104.409 -21.145 -56.989 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 96.63 -18.08 58.13 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.648 -1.381 . . . . 2.6299999999999999 109.648 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.35 63.8 0.44 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -1.161 . . . . 3.6400000000000001 109.586 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' SER . . . . . 0.564 ' O ' ' HA ' ' A' ' 515' ' ' VAL . 1.0 OUTLIER -90.51 27.37 1.73 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 2.1000000000000001 109.387 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' THR . . . . . 0.62 ' HB ' ' O ' ' A' ' 516' ' ' ALA . 2.7 p -160.06 124.68 3.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 1.51 108.831 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ALA . . . . . 0.656 ' CB ' ' OH ' ' A' ' 598' ' ' TYR . . . -135.45 -147.5 0.27 Allowed 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 119.015 -1.074 . . . . 1.26 110.336 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.562 ' C ' ' CG2' ' A' ' 611' ' ' VAL . 33.4 p -119.36 170.93 8.69 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 1.55 110.126 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' VAL . . . . . 0.849 ' HB ' ' CD2' ' A' ' 519' ' ' PHE . 0.5 OUTLIER -160.06 78.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 106.703 -1.591 . . . . 1.1699999999999999 106.703 -177.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.52 145.38 27.42 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.309 1.225 . . . . 1.54 114.309 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ASP . . . . . 0.82 ' O ' ' HA ' ' A' ' 521' ' ' LEU . 5.6 m-20 -161.86 174.84 12.58 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.941 -1.027 . . . . 1.7 108.281 176.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.44 ' HA ' ' HG ' ' A' ' 521' ' ' LEU . 0.5 OUTLIER -161.76 148.65 14.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.518 -1.364 . . . . 1.4399999999999999 110.023 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' TRP . . . . . 0.963 ' CH2' ' CD1' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -81.34 146.94 30.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.888 0.851 . . . . 2.1099999999999999 111.554 -178.251 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 117.992 -1.004 . . . . 5.8899999999999997 109.441 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLC . . . . . 0.752 ' O3 ' ' CE3' ' A' ' 590' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' BGC . . . . . 0.622 ' H2 ' ' C6 ' ' A' ' 2' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLC . . . . . 0.632 ' H62' ' H1 ' ' A' ' 4' ' ' GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLC . . . . . 0.692 ' H5 ' ' O5 ' ' A' ' 5' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' BGC . . . . . 0.73 H6C2 ' C6 ' ' A' ' 6' ' ' GLO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLO . . . . . 0.932 ' O2 ' ' CG ' ' A' ' 543' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLC . . . . . 0.572 ' C1 ' ' H61' ' A' ' 6' ' ' GLO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' B GLC . . . . . 1.079 ' O2 ' ' HG2' ' A' ' 561' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' B GLC . . . . . 0.7 ' H2 ' ' H5 ' ' A' ' 617' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' B GLC . . . . . 0.651 ' H5 ' ' O2 ' ' A' ' 620' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' B GLC . . . . . 0.651 ' O2 ' ' H5 ' ' A' ' 619' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' B GLC . . . . . 0.699 ' O3 ' ' H1 ' ' A' ' 622' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' B GLC . . . . . 0.699 ' H1 ' ' O3 ' ' A' ' 621' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' B GLC . . . . . 0.698 ' H3 ' ' O2 ' ' A' ' 617' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' CYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 604' ' ' CYS . 63.2 m . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 3.99 109.374 . -56.989 -21.145 -62.135 104.409 2.02 104.176 -116.641 38.949 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 512' ' ' PRO . 0.6 OUTLIER -141.9 -62.74 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 5.41 109.684 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 511' ' ' THR . . . . . 0.564 ' CB ' ' HD3' ' A' ' 512' ' ' PRO . 0.0 OUTLIER 176.06 -55.14 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.998 . . . . 4.66 110.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 512' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 511' ' ' THR . 34.4 Cg_endo -76.27 155.97 37.31 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.519 2.146 . . . . 3.63 111.008 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 570' ' ' PRO . 30.2 p -130.66 44.0 3.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.86 . . . . 1.79 109.618 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 570' ' ' PRO . . . -82.19 136.95 35.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 1.01 109.333 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.229 ' CG2' HG11 ' A' ' 600' ' ' VAL . 47.7 t -101.88 93.47 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.98 . . . . 1.16 110.128 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ALA . . . . . 0.64 ' O ' ' HB ' ' A' ' 608' ' ' THR . . . -77.37 110.33 12.02 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.488 -1.301 . . . . 0.73 107.488 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' VAL . . . . . 0.719 ' CG1' ' CG2' ' A' ' 611' ' ' VAL . 0.1 OUTLIER -115.18 137.2 49.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 117.805 -1.558 . . . . 0.49 107.393 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.613 HG22 ' OG1' ' A' ' 566' ' ' THR . 0.0 OUTLIER -97.39 122.32 40.3 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.086 -1.009 . . . . 1.47 108.45 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 519' ' ' PHE . . . . . 0.889 ' HB2' ' CG1' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -112.32 148.92 33.2 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.334 -0.854 . . . . 1.29 108.81 179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.28 106.1 5.91 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.094 -1.076 . . . . 1.43 108.094 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 1.217 HD11 ' CZ3' ' A' ' 615' ' ' TRP . 6.9 tt -114.81 123.75 50.0 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.17 -0.956 . . . . 1.38 110.218 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.618 ' N ' HD23 ' A' ' 521' ' ' LEU . 29.4 m -86.71 109.14 19.01 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.35 -0.94 . . . . 1.03 111.014 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.788 ' C ' HG22 ' A' ' 524' ' ' THR . . . -141.04 -133.03 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.782 -0.821 . . . . 1.7 108.782 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' THR . . . . . 0.892 ' N ' ' HE1' ' A' ' 563' ' ' TRP . 0.1 OUTLIER 177.76 102.88 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.266 -0.897 . . . . 2.4 110.548 -178.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 525' ' ' THR . . . . . 0.923 ' HB ' ' CH2' ' A' ' 563' ' ' TRP . 1.3 t -83.8 173.87 10.91 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.061 -1.024 . . . . 3.83 109.475 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.448 HG22 ' OE1' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -108.76 65.48 0.62 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.764 1.269 . . . . 2.32 108.613 178.246 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 527' ' ' TYR . . . . . 0.719 ' HD1' ' HO3' ' A' ' 620' B GLC . 1.8 t80 45.7 50.38 10.8 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.725 -1.125 . . . . 4.96 110.679 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLY . . . . . 0.529 ' N ' ' OG ' ' A' ' 559' ' ' SER . . . 159.79 45.81 0.02 OUTLIER Glycine 0 N--CA 1.497 2.747 0 C-N-CA 118.544 -1.789 . . . . 2.72 112.934 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.598 ' CG ' ' HH2' ' A' ' 563' ' ' TRP . 2.8 pt-20 -158.89 -178.98 7.64 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.109 -1.818 . . . . 2.9 109.916 178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ASN . . . . . 0.89 ' CG ' ' HB1' ' A' ' 550' ' ' ALA . 2.8 t-20 -142.02 137.09 30.87 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.691 -1.256 . . . . 1.15 111.048 -178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ILE . . . . . 1.034 HG12 ' CZ ' ' A' ' 579' ' ' PHE . 3.0 tt -92.28 112.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 107.274 -1.38 . . . . 0.81 107.274 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' TYR . . . . . 0.917 ' CB ' HG12 ' A' ' 580' ' ' ILE . 0.3 OUTLIER -84.64 155.02 22.18 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 118.729 2.863 . . . . 2.19 118.729 -173.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.921 ' HB3' HD12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -129.31 72.54 1.47 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 113.327 -1.761 . . . . 1.63 108.432 176.82 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 1.324 HG22 ' CA ' ' A' ' 542' ' ' ASP . 2.6 p -78.95 114.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 121.624 0.726 . . . . 0.56 109.658 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' GLY . . . . . 1.377 ' C ' ' HB2' ' A' ' 542' ' ' ASP . . . -105.56 158.27 15.9 Favored Glycine 0 N--CA 1.51 3.576 0 N-CA-C 108.767 -1.733 . . . . 1.17 108.767 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' SER . . . . . 1.0 ' N ' ' HB2' ' A' ' 542' ' ' ASP . 36.5 t -77.27 54.0 1.06 Allowed 'General case' 0 N--CA 1.511 2.614 0 CA-C-N 119.372 1.586 . . . . 0.8 112.709 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 1.11 HG21 HD11 ' A' ' 569' ' ' LEU . 2.3 tp -139.37 162.3 27.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.768 -1.197 . . . . 2.27 107.768 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.594 ' N ' HG13 ' A' ' 537' ' ' ILE . 9.5 m -59.39 -44.33 92.81 Favored 'General case' 0 C--N 1.288 -2.086 0 O-C-N 120.602 -1.311 . . . . 1.77 110.811 -176.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' GLN . . . . . 0.819 ' HB3' HD12 ' A' ' 569' ' ' LEU . 0.9 OUTLIER -71.33 -16.11 62.43 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.513 -2.032 . . . . 1.75 105.513 178.13 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LEU . . . . . 0.993 HD21 HD11 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -131.84 59.11 1.71 Allowed 'General case' 0 C--O 1.19 -2.077 0 N-CA-C 107.62 -1.252 . . . . 1.53 107.62 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLY . . . . . 0.622 ' C ' ' H ' ' A' ' 543' ' ' TRP . . . -29.98 -38.74 0.02 OUTLIER Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.989 -1.07 . . . . 1.66 110.903 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ASP . . . . . 1.377 ' HB2' ' C ' ' A' ' 535' ' ' GLY . 10.9 t0 65.75 -19.16 0.09 Allowed 'General case' 0 N--CA 1.516 2.855 0 O-C-N 122.051 -0.676 . . . . 3.12 110.689 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' TRP . . . . . 1.014 ' CE3' ' O ' ' A' ' 542' ' ' ASP . 11.7 m95 -131.11 29.0 4.72 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-O 123.666 1.698 . . . . 1.17 107.509 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLU . . . . . 0.552 ' HG3' ' O3 ' ' A' ' 2' ' ' BGC . 61.5 tt0 -170.01 82.86 0.11 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 103.833 -2.654 . . . . 1.85 103.833 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' THR . . . . . 1.057 HG22 HD12 ' A' ' 580' ' ' ILE . 1.3 p -46.65 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.475 -0.89 . . . . 0.79 109.618 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 544' ' ' GLU . 1.3 t -54.08 -38.23 65.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.006 -1.059 . . . . 1.46 109.662 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 540' ' ' LEU . 0.9 OUTLIER -118.86 38.11 3.89 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.376 -0.828 . . . . 1.45 109.277 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.556 ' C ' HG13 ' A' ' 549' ' ' ILE . . . -90.92 -122.05 2.55 Favored Glycine 0 N--CA 1.482 1.746 0 N-CA-C 108.524 -1.83 . . . . 0.52 108.524 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.993 HD11 HD21 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -152.41 98.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.773 -0.839 . . . . 1.29 108.981 178.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ALA . . . . . 0.89 ' HB1' ' CG ' ' A' ' 530' ' ' ASN . . . -79.2 131.4 36.18 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.004 0.907 . . . . 0.8 111.05 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 551' ' ' LEU . 3.7 mp -105.31 140.08 38.99 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.576 -1.638 . . . . 1.13 106.576 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.766 ' OG ' ' HB3' ' A' ' 560' ' ' ASP . 0.9 OUTLIER -145.62 -177.76 5.74 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 117.746 -1.582 . . . . 1.26 112.493 -178.201 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 1.23 ' HB1' ' CB ' ' A' ' 556' ' ' TYR . . . -86.71 58.51 5.11 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.287 -1.005 . . . . 1.99 108.287 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' ASP . . . . . 0.76 ' OD1' ' CE2' ' A' ' 564' ' ' TYR . 0.7 OUTLIER -59.73 -60.96 3.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.955 -1.091 . . . . 3.59 108.982 -179.569 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 554' ' ' ASP . 14.6 mttt -68.45 -41.36 80.36 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.431 -2.433 . . . . 2.65 104.431 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' TYR . . . . . 1.23 ' CB ' ' HB1' ' A' ' 553' ' ' ALA . 6.5 m-30 -50.1 158.81 0.5 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.993 -1.114 . . . . 3.84 107.993 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 557' ' ' THR . 1.0 OUTLIER -108.27 -17.0 14.12 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.877 -1.129 . . . . 3.94 111.759 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 558' ' ' SER . . . . . 0.59 ' HA ' ' CE1' ' A' ' 527' ' ' TYR . 39.4 t -75.92 -120.07 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 108.424 -0.954 . . . . 4.41 108.424 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' SER . . . . . 0.66 ' HB2' ' HA ' ' A' ' 527' ' ' TYR . 0.5 OUTLIER -111.93 -54.68 2.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.022 -1.049 . . . . 3.45 109.119 179.253 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ASP . . . . . 0.778 ' O ' ' CE2' ' A' ' 563' ' ' TRP . 0.2 OUTLIER 176.2 54.6 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.749 0 O-C-N 121.331 -0.856 . . . . 2.25 111.029 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 561' ' ' PRO . . . . . 1.086 ' HG2' ' O2 ' ' A' ' 617' B GLC . 19.6 Cg_endo -69.03 -37.53 10.78 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.366 1.377 . . . . 1.25 113.894 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 1.084 ' C ' HD13 ' A' ' 562' ' ' LEU . 0.0 OUTLIER -102.81 7.71 39.45 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 118.823 -2.423 . . . . 2.26 107.49 176.291 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 563' ' ' TRP . . . . . 0.986 ' CE3' ' HB ' ' A' ' 531' ' ' ILE . 0.0 OUTLIER 19.21 93.58 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.996 -1.002 . . . . 0.89 112.585 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.9 ' CD1' ' C ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -91.31 -161.7 0.84 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 105.867 -1.901 . . . . 1.73 105.867 176.39 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.889 ' CG1' ' HB2' ' A' ' 519' ' ' PHE . 1.4 p 174.15 154.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.222 -1.549 . . . . 0.64 112.024 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' THR . . . . . 0.613 ' OG1' HG22 ' A' ' 518' ' ' THR . 99.0 m -157.56 86.82 0.94 Allowed 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.089 -1.078 . . . . 0.81 108.089 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' VAL . . . . . 0.79 HG21 ' CG2' ' A' ' 549' ' ' ILE . 1.9 t -116.46 -166.73 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 0.7 109.421 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' THR . . . . . 0.719 ' H ' HG12 ' A' ' 567' ' ' VAL . 24.3 p -133.96 161.67 34.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.034 -1.041 . . . . 0.96 110.834 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' LEU . . . . . 1.11 HD11 HG21 ' A' ' 537' ' ' ILE . 7.1 tp -142.28 89.43 8.56 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 107.569 -1.271 . . . . 1.61 107.569 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' A' ' 514' ' ' ALA . 34.8 Cg_endo -76.05 99.09 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 123.125 2.55 . . . . 1.97 111.824 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ALA . . . . . 0.98 ' HB3' ' CZ ' ' A' ' 575' ' ' PHE . . . -162.46 -66.86 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 2.29 110.009 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . 91.25 53.62 2.14 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.059 -1.616 . . . . 1.28 109.059 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' VAL . 8.6 tt0 -162.23 -143.41 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 2.72 109.536 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 599' ' ' THR . 19.4 p -107.08 122.8 47.18 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 122.223 1.011 . . . . 1.5 109.887 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' PHE . . . . . 0.98 ' CZ ' ' HB3' ' A' ' 571' ' ' ALA . 4.1 m-85 -127.7 139.23 52.83 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.2 -1.778 . . . . 2.09 106.2 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.84 ' HB2' ' CB ' ' A' ' 536' ' ' SER . 29.0 mm-40 -75.89 170.2 16.68 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.13 -1.828 . . . . 1.9 107.656 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 598' ' ' TYR . 9.4 m-85 -143.51 61.89 1.38 Allowed 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 118.675 -1.21 . . . . 1.38 109.662 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' LYS . . . . . 0.622 ' HB2' ' CH2' ' A' ' 543' ' ' TRP . 0.0 OUTLIER -79.92 148.91 31.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.242 -1.022 . . . . 1.93 108.242 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 1.034 ' CZ ' HG12 ' A' ' 531' ' ' ILE . 7.1 t80 -113.01 144.53 42.43 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.361 -1.336 . . . . 1.51 110.428 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ILE . . . . . 1.057 HD12 HG22 ' A' ' 545' ' ' THR . 0.1 OUTLIER -139.27 116.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-N 114.293 -1.321 . . . . 0.62 108.075 -179.363 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ARG . . . . . 0.592 ' HB2' ' NE1' ' A' ' 615' ' ' TRP . 4.1 ttt180 -78.8 111.94 15.44 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.386 -1.446 . . . . 2.09 109.493 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ILE . . . . . 0.887 HG22 ' H ' ' A' ' 530' ' ' ASN . 0.4 OUTLIER -77.57 142.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 C-N-CA 118.557 -1.257 . . . . 0.99 107.995 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 583' ' ' GLU . . . . . 0.597 ' C ' ' HB2' ' A' ' 529' ' ' GLU . 9.3 tt0 -121.18 172.9 7.65 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.001 -1.062 . . . . 4.01 111.676 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' A' ' 529' ' ' GLU . 3.2 t -92.5 -25.14 18.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.896 -0.502 . . . . 3.37 111.829 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -76.65 0.53 Allowed 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.538 -1.352 . . . . 2.99 110.892 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 586' ' ' ASP . 32.0 t0 -65.47 -90.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 4.62 109.145 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.9 p -170.18 -129.6 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.539 -0.912 . . . . 1.61 108.539 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' VAL . . . . . 0.881 HG11 HG13 ' A' ' 580' ' ' ILE . 0.3 OUTLIER -86.36 -173.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 C-N-CA 118.672 -1.211 . . . . 0.87 109.463 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLU . . . . . 0.637 ' H ' HG12 ' A' ' 588' ' ' VAL . 0.7 OUTLIER -154.06 74.12 0.96 Allowed 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.085 -2.191 . . . . 2.54 105.085 177.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 590' ' ' TRP . . . . . 0.84 ' CD2' HG21 ' A' ' 580' ' ' ILE . 13.6 m95 -51.07 86.26 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.519 0.563 . . . . 0.65 112.519 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.664 ' HB2' ' CZ2' ' A' ' 615' ' ' TRP . 0.9 OUTLIER -62.94 87.86 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 104.817 -2.29 . . . . 2.44 104.817 176.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 590' ' ' TRP . 24.1 t -93.66 20.38 7.53 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.581 0.705 . . . . 2.03 109.38 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.734 ' CB ' ' HD3' ' A' ' 594' ' ' PRO . 1.2 m-20 -90.06 -66.72 0.14 Allowed Pre-proline 0 N--CA 1.486 1.361 0 N-CA-C 108.299 -1.0 . . . . 2.53 108.299 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.734 ' HD3' ' CB ' ' A' ' 593' ' ' ASP . 36.8 Cg_endo -78.56 77.28 4.09 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 121.829 1.686 . . . . 1.57 109.641 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.595 ' CB ' ' HE3' ' A' ' 578' ' ' LYS . 40.7 p-10 -100.41 168.67 9.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 1.67 110.257 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.63 -166.68 2.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.378 -0.826 . . . . 2.87 109.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -160.03 88.33 0.82 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.847 . . . . 1.91 108.934 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' TYR . . . . . 0.935 ' OH ' ' HB3' ' A' ' 609' ' ' ALA . 2.2 t80 -67.89 100.27 0.93 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.311 -0.868 . . . . 1.3 110.244 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 574' ' ' SER . 0.0 OUTLIER -85.75 69.21 10.58 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.597 -1.26 . . . . 2.16 107.597 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 600' ' ' VAL . . . . . 1.229 HG11 ' CG2' ' A' ' 515' ' ' VAL . 0.6 OUTLIER -59.17 128.12 84.9 Favored Pre-proline 0 N--CA 1.485 1.316 0 C-N-CA 119.315 -0.954 . . . . 0.8 108.931 -178.535 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.23 163.78 27.4 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.634 2.223 . . . . 0.96 110.332 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.83 -14.34 34.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 3.42 109.437 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -59.63 -172.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 3.01 109.45 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' CYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 509' ' ' CYS . 1.6 p -129.74 -177.54 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 2.56 109.557 -179.896 38.949 -116.641 -62.135 104.176 2.02 104.409 -21.145 -56.989 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 96.63 -18.08 58.13 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.648 -1.381 . . . . 2.53 109.648 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.35 63.8 0.44 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -1.161 . . . . 3.22 109.586 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 515' ' ' VAL . 1.0 OUTLIER -90.51 27.37 1.73 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 1.81 109.387 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 608' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 516' ' ' ALA . 2.7 p -160.06 124.68 3.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 1.0 108.831 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ALA . . . . . 0.935 ' HB3' ' OH ' ' A' ' 598' ' ' TYR . . . -135.45 -147.5 0.27 Allowed 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 119.015 -1.074 . . . . 0.68 110.336 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.577 ' O ' HG22 ' A' ' 611' ' ' VAL . 33.4 p -119.36 170.93 8.69 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.92 110.126 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' VAL . . . . . 0.836 ' HB ' ' CD2' ' A' ' 519' ' ' PHE . 0.5 OUTLIER -160.06 78.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 106.703 -1.591 . . . . 0.53 106.703 -177.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.52 145.38 27.42 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.309 1.225 . . . . 1.02 114.309 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ASP . . . . . 0.832 ' O ' ' HA ' ' A' ' 521' ' ' LEU . 5.6 m-20 -161.86 174.84 12.58 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.941 -1.027 . . . . 1.7 108.281 176.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.445 ' HA ' ' HG ' ' A' ' 521' ' ' LEU . 0.5 OUTLIER -161.76 148.65 14.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.518 -1.364 . . . . 0.98 110.023 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 615' ' ' TRP . . . . . 1.217 ' CZ3' HD11 ' A' ' 521' ' ' LEU . 0.1 OUTLIER -81.34 146.94 30.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.888 0.851 . . . . 1.49 111.554 -178.251 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 117.992 -1.004 . . . . 5.21 109.441 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLC . . . . . 0.737 ' O3 ' ' CE3' ' A' ' 590' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' BGC . . . . . 0.665 ' C6 ' ' H2 ' ' A' ' 2' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLC . . . . . 0.595 ' H5 ' ' H62' ' A' ' 4' ' ' GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLC . . . . . 0.88 ' H5 ' H6C2 ' A' ' 5' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' BGC . . . . . 0.88 H6C2 ' H5 ' ' A' ' 4' ' ' GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLO . . . . . 0.932 ' O2 ' ' CG ' ' A' ' 543' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLC . . . . . 0.579 ' C1 ' ' H61' ' A' ' 6' ' ' GLO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' B GLC . . . . . 1.086 ' O2 ' ' HG2' ' A' ' 561' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' B GLC . . . . . 0.845 ' H2 ' ' H5 ' ' A' ' 617' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' B GLC . . . . . 0.662 ' H5 ' ' O2 ' ' A' ' 620' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' B GLC . . . . . 0.719 ' HO3' ' HD1' ' A' ' 527' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' B GLC . . . . . 0.584 ' O3 ' ' C1 ' ' A' ' 622' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' B GLC . . . . . 0.584 ' C1 ' ' O3 ' ' A' ' 621' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' B GLC . . . . . 0.751 ' H2 ' ' H61' ' A' ' 623' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' CYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 604' ' ' CYS . 63.2 m . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 3.99 109.374 . -56.989 -21.145 -62.135 104.409 2.02 104.176 -116.641 38.949 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 512' ' ' PRO . 0.6 OUTLIER -141.9 -62.74 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 5.41 109.684 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' THR . . . . . 0.564 ' CB ' ' HD3' ' A' ' 512' ' ' PRO . 0.0 OUTLIER 176.06 -55.14 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.998 . . . . 4.66 110.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 511' ' ' THR . 34.4 Cg_endo -76.27 155.97 37.31 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.519 2.146 . . . . 3.63 111.008 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 570' ' ' PRO . 30.2 p -130.66 44.0 3.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.325 -0.86 . . . . 1.79 109.618 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 570' ' ' PRO . . . -82.19 136.95 35.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 1.01 109.333 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.229 ' CG2' HG11 ' A' ' 600' ' ' VAL . 47.7 t -101.88 93.47 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.98 . . . . 1.16 110.128 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ALA . . . . . 0.64 ' O ' ' HB ' ' A' ' 608' ' ' THR . . . -77.37 110.33 12.02 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.488 -1.301 . . . . 0.73 107.488 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' VAL . . . . . 0.719 ' CG1' ' CG2' ' A' ' 611' ' ' VAL . 0.1 OUTLIER -115.18 137.2 49.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 C-N-CA 117.805 -1.558 . . . . 0.49 107.393 -178.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.613 HG22 ' OG1' ' A' ' 566' ' ' THR . 0.0 OUTLIER -97.39 122.32 40.3 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.086 -1.009 . . . . 1.47 108.45 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' PHE . . . . . 0.889 ' HB2' ' CG1' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -112.32 148.92 33.2 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.334 -0.854 . . . . 1.29 108.81 179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.28 106.1 5.91 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.094 -1.076 . . . . 1.43 108.094 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 1.217 HD11 ' CZ3' ' A' ' 615' ' ' TRP . 6.9 tt -114.81 123.75 50.0 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.17 -0.956 . . . . 1.38 110.218 -178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.618 ' N ' HD23 ' A' ' 521' ' ' LEU . 29.4 m -86.71 109.14 19.01 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.35 -0.94 . . . . 1.03 111.014 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.788 ' C ' HG22 ' A' ' 524' ' ' THR . . . -141.04 -133.03 0.1 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.782 -0.821 . . . . 1.7 108.782 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' THR . . . . . 0.892 ' N ' ' HE1' ' A' ' 563' ' ' TRP . 0.1 OUTLIER 177.76 102.88 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.266 -0.897 . . . . 2.4 110.548 -178.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' THR . . . . . 0.923 ' HB ' ' CH2' ' A' ' 563' ' ' TRP . 1.3 t -83.8 173.87 10.91 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.061 -1.024 . . . . 3.83 109.475 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.448 HG22 ' OE1' ' A' ' 529' ' ' GLU . 0.0 OUTLIER -108.76 65.48 0.62 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.764 1.269 . . . . 2.32 108.613 178.246 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' TYR . . . . . 0.719 ' HD1' ' HO3' ' A' ' 620' B GLC . 1.8 t80 45.7 50.38 10.8 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-N 114.725 -1.125 . . . . 4.96 110.679 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . 0.529 ' N ' ' OG ' ' A' ' 559' ' ' SER . . . 159.79 45.81 0.02 OUTLIER Glycine 0 N--CA 1.497 2.747 0 C-N-CA 118.544 -1.789 . . . . 2.72 112.934 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.598 ' CG ' ' HH2' ' A' ' 563' ' ' TRP . 2.8 pt-20 -158.89 -178.98 7.64 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.109 -1.818 . . . . 2.9 109.916 178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ASN . . . . . 0.971 ' ND2' ' HB1' ' A' ' 550' ' ' ALA . 0.1 OUTLIER -142.02 137.09 30.87 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.691 -1.256 . . . . 1.15 111.048 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ILE . . . . . 1.034 HG12 ' CZ ' ' A' ' 579' ' ' PHE . 3.0 tt -92.28 112.38 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 107.274 -1.38 . . . . 0.81 107.274 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' TYR . . . . . 0.917 ' CB ' HG12 ' A' ' 580' ' ' ILE . 0.3 OUTLIER -84.64 155.02 22.18 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 118.729 2.863 . . . . 2.19 118.729 -173.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.921 ' HB3' HD12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -129.31 72.54 1.47 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 113.327 -1.761 . . . . 1.63 108.432 176.82 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 1.324 HG22 ' CA ' ' A' ' 542' ' ' ASP . 2.6 p -78.95 114.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 121.624 0.726 . . . . 0.56 109.658 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . 1.377 ' C ' ' HB2' ' A' ' 542' ' ' ASP . . . -105.56 158.27 15.9 Favored Glycine 0 N--CA 1.51 3.576 0 N-CA-C 108.767 -1.733 . . . . 1.17 108.767 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' SER . . . . . 1.0 ' N ' ' HB2' ' A' ' 542' ' ' ASP . 36.5 t -77.27 54.0 1.06 Allowed 'General case' 0 N--CA 1.511 2.614 0 CA-C-N 119.372 1.586 . . . . 0.8 112.709 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 1.11 HG21 HD11 ' A' ' 569' ' ' LEU . 2.3 tp -139.37 162.3 27.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.768 -1.197 . . . . 2.27 107.768 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.594 ' N ' HG13 ' A' ' 537' ' ' ILE . 9.5 m -59.39 -44.33 92.81 Favored 'General case' 0 C--N 1.288 -2.086 0 O-C-N 120.602 -1.311 . . . . 1.77 110.811 -176.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' GLN . . . . . 0.819 ' HB3' HD12 ' A' ' 569' ' ' LEU . 0.0 OUTLIER -71.33 -16.11 62.43 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 105.513 -2.032 . . . . 1.75 105.513 178.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LEU . . . . . 0.993 HD21 HD11 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -131.84 59.11 1.71 Allowed 'General case' 0 C--O 1.19 -2.077 0 N-CA-C 107.62 -1.252 . . . . 1.53 107.62 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . 0.622 ' C ' ' H ' ' A' ' 543' ' ' TRP . . . -29.98 -38.74 0.02 OUTLIER Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.989 -1.07 . . . . 1.66 110.903 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ASP . . . . . 1.377 ' HB2' ' C ' ' A' ' 535' ' ' GLY . 10.9 t0 65.75 -19.16 0.09 Allowed 'General case' 0 N--CA 1.516 2.855 0 O-C-N 122.051 -0.676 . . . . 3.12 110.689 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . 1.014 ' CE3' ' O ' ' A' ' 542' ' ' ASP . 11.7 m95 -131.11 29.0 4.72 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-O 123.666 1.698 . . . . 1.17 107.509 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . 0.552 ' HG3' ' O3 ' ' A' ' 2' ' ' BGC . 61.5 tt0 -170.01 82.86 0.11 Allowed 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 103.833 -2.654 . . . . 1.85 103.833 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 1.057 HG22 HD12 ' A' ' 580' ' ' ILE . 1.3 p -46.65 -13.26 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.475 -0.89 . . . . 0.79 109.618 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 544' ' ' GLU . 1.3 t -54.08 -38.23 65.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.006 -1.059 . . . . 1.46 109.662 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 540' ' ' LEU . 0.9 OUTLIER -118.86 38.11 3.89 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.376 -0.828 . . . . 1.45 109.277 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.556 ' C ' HG13 ' A' ' 549' ' ' ILE . . . -90.92 -122.05 2.55 Favored Glycine 0 N--CA 1.482 1.746 0 N-CA-C 108.524 -1.83 . . . . 0.52 108.524 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.993 HD11 HD21 ' A' ' 540' ' ' LEU . 0.5 OUTLIER -152.41 98.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.773 -0.839 . . . . 1.29 108.981 178.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ALA . . . . . 0.971 ' HB1' ' ND2' ' A' ' 530' ' ' ASN . . . -79.2 131.4 36.18 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.004 0.907 . . . . 0.8 111.05 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 551' ' ' LEU . 3.7 mp -105.31 140.08 38.99 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 106.576 -1.638 . . . . 1.13 106.576 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.766 ' OG ' ' HB3' ' A' ' 560' ' ' ASP . 0.9 OUTLIER -145.62 -177.76 5.74 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 117.746 -1.582 . . . . 1.26 112.493 -178.201 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 1.23 ' HB1' ' CB ' ' A' ' 556' ' ' TYR . . . -86.71 58.51 5.11 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.287 -1.005 . . . . 1.99 108.287 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' ASP . . . . . 0.76 ' OD1' ' CE2' ' A' ' 564' ' ' TYR . 0.7 OUTLIER -59.73 -60.96 3.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.955 -1.091 . . . . 3.59 108.982 -179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.61 ' N ' ' CG ' ' A' ' 554' ' ' ASP . 14.6 mttt -68.45 -41.36 80.36 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 104.431 -2.433 . . . . 2.65 104.431 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' TYR . . . . . 1.23 ' CB ' ' HB1' ' A' ' 553' ' ' ALA . 6.5 m-30 -50.1 158.81 0.5 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.993 -1.114 . . . . 3.84 107.993 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 557' ' ' THR . 1.0 OUTLIER -108.27 -17.0 14.12 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.877 -1.129 . . . . 3.94 111.759 -178.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . 0.59 ' HA ' ' CE1' ' A' ' 527' ' ' TYR . 39.4 t -75.92 -120.07 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 108.424 -0.954 . . . . 4.41 108.424 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . 0.66 ' HB2' ' HA ' ' A' ' 527' ' ' TYR . 0.5 OUTLIER -111.93 -54.68 2.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.022 -1.049 . . . . 3.45 109.119 179.253 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . 0.778 ' O ' ' CE2' ' A' ' 563' ' ' TRP . 0.2 OUTLIER 176.2 54.6 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.749 0 O-C-N 121.331 -0.856 . . . . 2.25 111.029 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' PRO . . . . . 1.086 ' HG2' ' O2 ' ' A' ' 617' B GLC . 19.6 Cg_endo -69.03 -37.53 10.78 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.366 1.377 . . . . 1.25 113.894 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 1.084 ' C ' HD13 ' A' ' 562' ' ' LEU . 0.0 OUTLIER -102.81 7.71 39.45 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 118.823 -2.423 . . . . 2.26 107.49 176.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' TRP . . . . . 0.986 ' CE3' ' HB ' ' A' ' 531' ' ' ILE . 0.0 OUTLIER 19.21 93.58 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 114.996 -1.002 . . . . 0.89 112.585 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.9 ' CD1' ' C ' ' A' ' 564' ' ' TYR . 0.0 OUTLIER -91.31 -161.7 0.84 Allowed 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 105.867 -1.901 . . . . 1.73 105.867 176.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.889 ' CG1' ' HB2' ' A' ' 519' ' ' PHE . 1.4 p 174.15 154.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.222 -1.549 . . . . 0.64 112.024 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . 0.613 ' OG1' HG22 ' A' ' 518' ' ' THR . 99.0 m -157.56 86.82 0.94 Allowed 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.089 -1.078 . . . . 0.81 108.089 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' VAL . . . . . 0.79 HG21 ' CG2' ' A' ' 549' ' ' ILE . 1.9 t -116.46 -166.73 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 0.7 109.421 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' THR . . . . . 0.719 ' H ' HG12 ' A' ' 567' ' ' VAL . 24.3 p -133.96 161.67 34.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.034 -1.041 . . . . 0.96 110.834 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . 1.11 HD11 HG21 ' A' ' 537' ' ' ILE . 7.1 tp -142.28 89.43 8.56 Favored Pre-proline 0 N--CA 1.49 1.572 0 N-CA-C 107.569 -1.271 . . . . 1.61 107.569 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' A' ' 514' ' ' ALA . 34.8 Cg_endo -76.05 99.09 1.25 Allowed 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 123.125 2.55 . . . . 1.97 111.824 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . 0.98 ' HB3' ' CZ ' ' A' ' 575' ' ' PHE . . . -162.46 -66.86 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 2.29 110.009 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . 91.25 53.62 2.14 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.059 -1.616 . . . . 1.28 109.059 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 600' ' ' VAL . 8.6 tt0 -162.23 -143.41 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 2.72 109.536 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 599' ' ' THR . 19.4 p -107.08 122.8 47.18 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 122.223 1.011 . . . . 1.5 109.887 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' PHE . . . . . 0.98 ' CZ ' ' HB3' ' A' ' 571' ' ' ALA . 4.1 m-85 -127.7 139.23 52.83 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 106.2 -1.778 . . . . 2.09 106.2 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.84 ' HB2' ' CB ' ' A' ' 536' ' ' SER . 29.0 mm-40 -75.89 170.2 16.68 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.13 -1.828 . . . . 1.9 107.656 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' TYR . . . . . 0.684 ' CE1' ' CB ' ' A' ' 598' ' ' TYR . 9.4 m-85 -143.51 61.89 1.38 Allowed 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 118.675 -1.21 . . . . 1.38 109.662 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' LYS . . . . . 0.622 ' HB2' ' CH2' ' A' ' 543' ' ' TRP . 0.0 OUTLIER -79.92 148.91 31.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.242 -1.022 . . . . 1.93 108.242 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 1.034 ' CZ ' HG12 ' A' ' 531' ' ' ILE . 7.1 t80 -113.01 144.53 42.43 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 118.361 -1.336 . . . . 1.51 110.428 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ILE . . . . . 1.057 HD12 HG22 ' A' ' 545' ' ' THR . 0.1 OUTLIER -139.27 116.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-N 114.293 -1.321 . . . . 0.62 108.075 -179.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ARG . . . . . 0.592 ' HB2' ' NE1' ' A' ' 615' ' ' TRP . 4.1 ttt180 -78.8 111.94 15.44 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.386 -1.446 . . . . 2.09 109.493 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ILE . . . . . 0.887 HG22 ' H ' ' A' ' 530' ' ' ASN . 0.4 OUTLIER -77.57 142.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 C-N-CA 118.557 -1.257 . . . . 0.99 107.995 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' GLU . . . . . 0.597 ' C ' ' HB2' ' A' ' 529' ' ' GLU . 9.3 tt0 -121.18 172.9 7.65 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.001 -1.062 . . . . 4.01 111.676 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' A' ' 529' ' ' GLU . 3.2 t -92.5 -25.14 18.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.896 -0.502 . . . . 3.37 111.829 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -76.65 0.53 Allowed 'General case' 0 C--N 1.307 -1.262 0 O-C-N 120.538 -1.352 . . . . 2.99 110.892 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 586' ' ' ASP . 32.0 t0 -65.47 -90.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.276 -0.89 . . . . 4.62 109.145 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' SER . . . . . . . . . . . . . 83.9 p -170.18 -129.6 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.539 -0.912 . . . . 1.61 108.539 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' VAL . . . . . 0.881 HG11 HG13 ' A' ' 580' ' ' ILE . 0.3 OUTLIER -86.36 -173.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 C-N-CA 118.672 -1.211 . . . . 0.87 109.463 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLU . . . . . 0.637 ' H ' HG12 ' A' ' 588' ' ' VAL . 0.7 OUTLIER -154.06 74.12 0.96 Allowed 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 105.085 -2.191 . . . . 2.54 105.085 177.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' TRP . . . . . 0.84 ' CD2' HG21 ' A' ' 580' ' ' ILE . 13.6 m95 -51.07 86.26 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.519 0.563 . . . . 0.65 112.519 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.664 ' HB2' ' CZ2' ' A' ' 615' ' ' TRP . 0.9 OUTLIER -62.94 87.86 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 104.817 -2.29 . . . . 2.44 104.817 176.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 590' ' ' TRP . 24.1 t -93.66 20.38 7.53 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.581 0.705 . . . . 2.03 109.38 -176.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.734 ' CB ' ' HD3' ' A' ' 594' ' ' PRO . 1.2 m-20 -90.06 -66.72 0.14 Allowed Pre-proline 0 N--CA 1.486 1.361 0 N-CA-C 108.299 -1.0 . . . . 2.53 108.299 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.734 ' HD3' ' CB ' ' A' ' 593' ' ' ASP . 36.8 Cg_endo -78.56 77.28 4.09 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 C-N-CA 121.829 1.686 . . . . 1.57 109.641 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.595 ' CB ' ' HE3' ' A' ' 578' ' ' LYS . 40.7 p-10 -100.41 168.67 9.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.126 -0.984 . . . . 1.67 110.257 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.63 -166.68 2.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.378 -0.826 . . . . 2.87 109.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -160.03 88.33 0.82 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.847 . . . . 1.91 108.934 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' TYR . . . . . 0.935 ' OH ' ' HB3' ' A' ' 609' ' ' ALA . 2.2 t80 -67.89 100.27 0.93 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.311 -0.868 . . . . 1.3 110.244 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 574' ' ' SER . 0.0 OUTLIER -85.75 69.21 10.58 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 107.597 -1.26 . . . . 2.16 107.597 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' VAL . . . . . 1.229 HG11 ' CG2' ' A' ' 515' ' ' VAL . 0.6 OUTLIER -59.17 128.12 84.9 Favored Pre-proline 0 N--CA 1.485 1.316 0 C-N-CA 119.315 -0.954 . . . . 0.8 108.931 -178.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.23 163.78 27.4 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.634 2.223 . . . . 0.96 110.332 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -89.83 -14.34 34.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 3.42 109.437 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ALA . . . . . . . . . . . . . . . -59.63 -172.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 3.01 109.45 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' CYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 509' ' ' CYS . 1.6 p -129.74 -177.54 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 2.56 109.557 -179.896 38.949 -116.641 -62.135 104.176 2.02 104.409 -21.145 -56.989 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLY . . . . . . . . . . . . . . . 96.63 -18.08 58.13 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.648 -1.381 . . . . 2.53 109.648 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.35 63.8 0.44 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -1.161 . . . . 3.22 109.586 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 515' ' ' VAL . 1.0 OUTLIER -90.51 27.37 1.73 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 1.81 109.387 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 516' ' ' ALA . 2.7 p -160.06 124.68 3.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.879 . . . . 1.0 108.831 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ALA . . . . . 0.935 ' HB3' ' OH ' ' A' ' 598' ' ' TYR . . . -135.45 -147.5 0.27 Allowed 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 119.015 -1.074 . . . . 0.68 110.336 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.577 ' O ' HG22 ' A' ' 611' ' ' VAL . 33.4 p -119.36 170.93 8.69 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 122.099 0.952 . . . . 0.92 110.126 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' VAL . . . . . 0.836 ' HB ' ' CD2' ' A' ' 519' ' ' PHE . 0.5 OUTLIER -160.06 78.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 106.703 -1.591 . . . . 0.53 106.703 -177.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.52 145.38 27.42 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.309 1.225 . . . . 1.02 114.309 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ASP . . . . . 0.832 ' O ' ' HA ' ' A' ' 521' ' ' LEU . 5.6 m-20 -161.86 174.84 12.58 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.941 -1.027 . . . . 1.7 108.281 176.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.445 ' HA ' ' HG ' ' A' ' 521' ' ' LEU . 0.5 OUTLIER -161.76 148.65 14.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.518 -1.364 . . . . 0.98 110.023 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' TRP . . . . . 1.217 ' CZ3' HD11 ' A' ' 521' ' ' LEU . 0.1 OUTLIER -81.34 146.94 30.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.888 0.851 . . . . 1.49 111.554 -178.251 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 117.992 -1.004 . . . . 5.21 109.441 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLC . . . . . 0.737 ' O3 ' ' CE3' ' A' ' 590' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' BGC . . . . . 0.665 ' C6 ' ' H2 ' ' A' ' 2' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLC . . . . . 0.595 ' H5 ' ' H62' ' A' ' 4' ' ' GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLC . . . . . 0.88 ' H5 ' H6C2 ' A' ' 5' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' BGC . . . . . 0.88 H6C2 ' H5 ' ' A' ' 4' ' ' GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLO . . . . . 0.932 ' O2 ' ' CG ' ' A' ' 543' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLC . . . . . 0.579 ' C1 ' ' H61' ' A' ' 6' ' ' GLO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' B GLC . . . . . 1.086 ' O2 ' ' HG2' ' A' ' 561' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' B GLC . . . . . 0.845 ' H2 ' ' H5 ' ' A' ' 617' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' B GLC . . . . . 0.662 ' H5 ' ' O2 ' ' A' ' 620' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' B GLC . . . . . 0.719 ' HO3' ' HD1' ' A' ' 527' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' B GLC . . . . . 0.584 ' O3 ' ' C1 ' ' A' ' 622' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' B GLC . . . . . 0.584 ' C1 ' ' O3 ' ' A' ' 621' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' B GLC . . . . . 0.751 ' H2 ' ' H61' ' A' ' 623' B GLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_